Ropinirole hydrochloride supplier

Name
Ropinirole hydrochloride
EINECS 635-615-9
CAS No. 91374-20-8
Article Data21
CAS DataBase
Density
Solubility
Melting Point 241-243 °C
Formula C₁₆H₂₄N₂O.ClH
Boiling Point 410.5 °C at 760 mmHg
Molecular Weight 296.84
Flash Point 202 °C
Transport Information UN 3077 9/PG 3
Appearance off-white solid
Safety 36-60-61-37/39-26
Risk Codes 22-50/53-36/38
Molecular Structure
Hazard Symbols Xn, N, Xi
Synonyms 2H-Indol-2-one,4-[2-(dipropylamino)ethyl]-1,3-dihydro-, monohydrochloride (9CI);Parkirop;Requip;Ropinirole hydrochloride;Ropitar;SKF 101468 hydrochloride;SKF101468A;4-(2-(Dipropylamino)ethyl)-2-indolinone monohydrochloride;1,3-Dihydro-4-(2-(dipropylamino)ethyl)-2H-indol-2-one monohydrochloride;Adartrel;
PSA 32.34000
LogP 3.78570

Synthetic route

: 802294-64-0
propionic acid

: N-Despropylropinirole

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: propionic acid With sodium tetrahydroborate In toluene at 0 - 5℃; Stage #2: N-Despropylropinirole With sodium tetrahydroborate In toluene at 25 - 80℃; for 3h; Stage #3: With hydrogenchloride In water; isopropyl alcohol	98%

: 91374-25-3
<2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: <2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride With hydrogen; palladium 10% on activated carbon In water at 30 - 35℃; under 2942.29 Torr; for 8h; Stage #2: With sodium hydroxide In water pH=10 - 11; Stage #3: With hydrogenchloride In ethanol at 0 - 20℃; for 0.5 - 0.666667h; pH=2.0 - 3.0;	87.2%
Stage #1: <2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride With hydrogen; palladium 10% on activated carbon In ethanol at 35 - 45℃; under 2206.72 - 4413.43 Torr; for 25h; Stage #2: With hydrogenchloride In ethanol at 15 - 25℃; for 0.5 - 0.666667h; pH=1.5 - 2.5;	66.8%
With hydrogen; palladium 10% on activated carbon In methanol
Stage #1: <2-nitro-6-<2-(N,N-di-n-propylamino)ethyl>phenyl>acetic acid hydrochloride With hydrogen; 5% Pd(II)/C(eggshell) In methanol at 25 - 35℃; under 2059.6 - 3236.52 Torr; Sealed tube; Stage #2: With hydrogenchloride In isopropyl alcohol; toluene at 0 - 35℃;

: 142-84-7
di-n-propylamine

: 139122-20-6
2-(2-oxo-2,3-dihydro-1H-indol-4-yl)ethyl-4-methylbenzene-1-sulfonate

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
In water at 80℃; for 5h;	87%
With hydrogenchloride In water Large scale;	85%

: 91374-21-9
Ropinirole

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane; water	78%
With hydrogenchloride In water
With hydrogenchloride In isopropyl alcohol; toluene at 15 - 20℃; for 1h; Purification / work up;

: methyl 2-(2-((tert-butoxycarbonyl)amino)-6-(2-oxoethyl)phenyl)acetate

: 142-84-7
di-n-propylamine

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: methyl 2-(2-((tert-butoxycarbonyl)amino)-6-(2-oxoethyl)phenyl)acetate; di-n-propylamine With acetic acid In dichloromethane for 0.166667h; Stage #2: With sodium cyanoborohydride In dichloromethane for 2h; Stage #3: With hydrogenchloride In dichloromethane; water for 16h;	73%

: 142-84-7
di-n-propylamine

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
With hydrogenchloride In water Large scale;	A 57% B 38%

...Expand

: 142-84-7
di-n-propylamine

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: di-n-propylamine; 4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one In water; acetonitrile at 65 - 70℃; for 1.25h; Stage #2: With hydrogenchloride In water pH=2;	50%

: N-[(phenylacetyl)oxy]-2-{2-[2-(dipropylamino)ethyl]phenyl}acetamide hydrochloride

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: N-[(phenylacetyl)oxy]-2-{2-[2-(dipropylamino)ethyl]phenyl}acetamide hydrochloride With iron(III) chloride In dichloromethane for 2h; Heating / reflux; Stage #2: With ammonia In methanol; dichloromethane; water Stage #3: With hydrogenchloride In water; isopropyl alcohol Product distribution / selectivity;	41.7%

: 863436-07-1
2-{2-[2-(dipropylamino)ethyl]phenyl}-N-hydroxyacetamide

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-{2-[2-(dipropylamino)ethyl]phenyl}-N-hydroxyacetamide With acetyl chloride In dichloromethane at 20℃; for 0.5h; Stage #2: With iron(III) chloride In dichloromethane at 50℃; for 2h; Heating / reflux; Stage #3: With hydrogenchloride; ammonia Product distribution / selectivity; more than 3 stages;	41.1%
Stage #1: 2-{2-[2-(dipropylamino)ethyl]phenyl}-N-hydroxyacetamide With benzoyl chloride In dichloromethane at 20℃; for 0.5h; Stage #2: With iron(III) chloride In dichloromethane for 2h; Heating / reflux; Stage #3: With hydrogenchloride; ammonia Product distribution / selectivity; more than 3 stages;	25.3%

: 4-(2'-aminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride

: 123-38-6
propionaldehyde

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
With hydrogen; palladium 10% on activated carbon In methanol at 20℃; under 3677.86 Torr; for 24h;	41%

: 2-nitro-6(2-di-n-propylaminoethyl)-phenyl acetic acid hydrochloride

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
palladium In ethanol; acetonitrile

: 142-84-7
di-n-propylamine

: 120427-95-4
4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Stage #1: di-n-propylamine; 4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one In water; toluene Inert atmosphere; Reflux; Stage #2: With sodium tetrahydroborate In water; acetonitrile Stage #3: With hydrogenchloride In dichloromethane; water; acetonitrile at 5℃; for 1h;

: 920986-68-1
N-[2-(2-methyl-3-nitrophenyl)ethyl]-N-propylpropan-1-amine hydrochloride

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: ethanol; sodium / tetrahydrofuran / 15 - 30 °C / Inert atmosphere 1.2: 25 - 30 °C 2.1: sodium hydroxide; water / toluene; methanol / 0 - 5 °C / pH 12 2.2: 15 °C 2.3: 25 - 70 °C / pH < 2 / Activated charcoal 3.1: hydrogen / 5% Pd(II)/C(eggshell) / methanol / 25 - 35 °C / 2059.6 - 3236.52 Torr / Sealed tube 3.2: 0 - 35 °C View Scheme

: 139122-17-1
4-[2-(benzoyloxy)ethyl]-3-chloro-1,3-dihydro-2H-indolin-2-one

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: palladium on activated charcoal; hydrazine hydrate 2: sodium hydroxide; water / Large scale 3: pyridine / Large scale 4: hydrogenchloride / water / Large scale View Scheme
Multi-step reaction with 4 steps 1: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux 2: sodium hydroxide; water / methanol / 4 h / Reflux 3: dichloromethane; pyridine / 3 h / 5 - 10 °C 4: water / 5 h / 80 °C View Scheme

: 4-(2-chloroethyl)indolin-2-one

: 142-84-7
di-n-propylamine

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
With hydrogenchloride In water

...Expand

: 493-05-0
isochromane

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: bromine / water / Irradiation 2: water; methanol / Acidic conditions; Large scale 3: iron(III) chloride / Acidic conditions; Large scale 4: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale 5: hydrogenchloride / water / Large scale View Scheme

: 50683-32-4
1-Bromoisochromane

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: water; methanol / Acidic conditions; Large scale 2: iron(III) chloride / Acidic conditions; Large scale 3: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale 4: hydrogenchloride / water / Large scale View Scheme

: C10H10INO

: 142-84-7
di-n-propylamine

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
With hydrogenchloride In water

...Expand

: 2-(2-bromoethyl)-β-nitrostyrene

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: iron(III) chloride / Acidic conditions; Large scale 2: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale 3: hydrogenchloride / water / Large scale View Scheme

: 139122-18-2
4-(2-benzoyloxyethyl)-1,3-dihydro-2H-indolin-2-one

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydroxide; water / Large scale 2: pyridine / Large scale 3: hydrogenchloride / water / Large scale View Scheme
Multi-step reaction with 3 steps 1: sodium hydroxide; water / methanol / 4 h / Reflux 2: dichloromethane; pyridine / 3 h / 5 - 10 °C 3: water / 5 h / 80 °C View Scheme

: 120427-95-4
4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

A: 91374-20-8
ropinirole hydrochloride

B: 4-ethylenyl-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale 2: hydrogenchloride / water / Large scale View Scheme

: 139122-16-0
benzoic acid (2-(2-nitroethenyl))phenethyl ester

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice 2: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux 3: sodium hydroxide; water / methanol / 4 h / Reflux 4: dichloromethane; pyridine / 3 h / 5 - 10 °C 5: water / 5 h / 80 °C View Scheme

: 60-12-8
2-phenylethanol

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 9 steps 1.1: hydrogenchloride / water / 20 h / 36 °C 2.1: zinc(II) chloride / dichloromethane / Reflux 2.2: 1.5 h / Reflux 3.1: dimethyl sulfoxide; sodium hydrogencarbonate / 3 h / 110 °C 4.1: ammonium acetate / 10 h / Reflux 5.1: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice 6.1: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux 7.1: sodium hydroxide; water / methanol / 4 h / Reflux 8.1: dichloromethane; pyridine / 3 h / 5 - 10 °C 9.1: water / 5 h / 80 °C View Scheme

Yield

Multi-step reaction with 9 steps
1.1: hydrogenchloride / water / 20 h / 36 °C
2.1: zinc(II) chloride / dichloromethane / Reflux
2.2: 1.5 h / Reflux
3.1: dimethyl sulfoxide; sodium hydrogencarbonate / 3 h / 110 °C
4.1: ammonium acetate / 10 h / Reflux
5.1: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice
6.1: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux
7.1: sodium hydroxide; water / methanol / 4 h / Reflux
8.1: dichloromethane; pyridine / 3 h / 5 - 10 °C
9.1: water / 5 h / 80 °C
View Scheme

: 493-05-0
isochromane

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1.1: zinc(II) chloride / dichloromethane / Reflux 1.2: 1.5 h / Reflux 2.1: dimethyl sulfoxide; sodium hydrogencarbonate / 3 h / 110 °C 3.1: ammonium acetate / 10 h / Reflux 4.1: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice 5.1: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux 6.1: sodium hydroxide; water / methanol / 4 h / Reflux 7.1: dichloromethane; pyridine / 3 h / 5 - 10 °C 8.1: water / 5 h / 80 °C View Scheme

Yield

Multi-step reaction with 8 steps
1.1: zinc(II) chloride / dichloromethane / Reflux
1.2: 1.5 h / Reflux
2.1: dimethyl sulfoxide; sodium hydrogencarbonate / 3 h / 110 °C
3.1: ammonium acetate / 10 h / Reflux
4.1: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice
5.1: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux
6.1: sodium hydroxide; water / methanol / 4 h / Reflux
7.1: dichloromethane; pyridine / 3 h / 5 - 10 °C
8.1: water / 5 h / 80 °C
View Scheme

: 168476-58-2
2-[2-(chloromethyl)phenyl]ethylbenzoate

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: dimethyl sulfoxide; sodium hydrogencarbonate / 3 h / 110 °C 2: ammonium acetate / 10 h / Reflux 3: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice 4: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux 5: sodium hydroxide; water / methanol / 4 h / Reflux 6: dichloromethane; pyridine / 3 h / 5 - 10 °C 7: water / 5 h / 80 °C View Scheme

Yield

Multi-step reaction with 7 steps
1: dimethyl sulfoxide; sodium hydrogencarbonate / 3 h / 110 °C
2: ammonium acetate / 10 h / Reflux
3: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice
4: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux
5: sodium hydroxide; water / methanol / 4 h / Reflux
6: dichloromethane; pyridine / 3 h / 5 - 10 °C
7: water / 5 h / 80 °C
View Scheme

: 139122-15-9
benzoic acid (2-formyl)phenethyl ester

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: ammonium acetate / 10 h / Reflux 2: iron(III) chloride; acetyl chloride / water; dichloromethane / 3 h / 5 °C / Cooling with ice 3: palladium 10% on activated carbon / water; ethyl acetate / 3 h / Reflux 4: sodium hydroxide; water / methanol / 4 h / Reflux 5: dichloromethane; pyridine / 3 h / 5 - 10 °C 6: water / 5 h / 80 °C View Scheme

: 16176-74-2
2-(1H-indol-4-yl)acetic acid

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 2: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C 3: 0.01 h / -40 - 80 °C 4: palladium on activated charcoal; hydrogen / 2 h / 20 °C 5: pyridine / 2 h / 20 °C 6: sodium iodide / 4 h / 100 °C 7: hydrogenchloride / 1,4-dioxane; water View Scheme

: C10H11NO

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C 2: 0.01 h / -40 - 80 °C 3: palladium on activated charcoal; hydrogen / 2 h / 20 °C 4: pyridine / 2 h / 20 °C 5: sodium iodide / 4 h / 100 °C 6: hydrogenchloride / 1,4-dioxane; water View Scheme

: C10H10ClNO

: 91374-20-8
ropinirole hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 0.01 h / -40 - 80 °C 2: palladium on activated charcoal; hydrogen / 2 h / 20 °C 3: pyridine / 2 h / 20 °C 4: sodium iodide / 4 h / 100 °C 5: hydrogenchloride / 1,4-dioxane; water View Scheme

: 91374-20-8
ropinirole hydrochloride

: 91374-21-9
Ropinirole

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 0.25h;	94%
With sodium hydroxide In water for 0.25h;	86%
With ammonia; water at 22 - 25℃; for 0.5h; Purification / work up;

: 50-00-0
formaldehyd

: 91374-20-8
ropinirole hydrochloride

: 3,3'-methylene ropinirole dimer sulfate

Conditions

Conditions	Yield
Stage #1: formaldehyd; ropinirole hydrochloride With N-ethyl-N,N-diisopropylamine In methanol; water at 60℃; for 18h; Stage #2: With sulfuric acid In methanol; water Reagent/catalyst; Temperature; Solvent;	71%

: 50-00-0
formaldehyd

: 91374-20-8
ropinirole hydrochloride

: 3,3'-methylene ropinirole dimer hydrochloride

Conditions

Conditions	Yield
Stage #1: formaldehyd; ropinirole hydrochloride With triethylamine In methanol; water at 60℃; for 18h; Stage #2: With hydrogenchloride In methanol; water Reagent/catalyst; Temperature; Solvent;	69%

: 91374-20-8
ropinirole hydrochloride

: 4801-27-8
2-bromoethyl chloroformate

: 1424879-79-7
ropinirole-N-bromoethylcarboxylate

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane at 20℃;	22.01%
With triethylamine

: 91374-20-8
ropinirole hydrochloride

: 10199-89-0
NBD chloride

: 1036069-92-7
C22H25N5O4

Conditions

Conditions	Yield
With borate buffer at 100℃; for 0.5h; pH=8.5;

: 91374-20-8
ropinirole hydrochloride

A: 954117-22-7
4-(2-dipropylaminoethyl)-1-hydroxy-1,3-dihydroindol-2-one

B: 102842-51-3
4-(2-dipropylaminoethyl)-1H-indol-2,3-dione

C: 720656-64-4
2-nitro-6-<2-(di-n-propylamino)ethyl>phenylacetic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In dihydrogen peroxide at 80℃; for 5h;

...Expand

: 91374-20-8
ropinirole hydrochloride

: 1632235-97-2
4-(2-((3-aminopropyl)(propyl)amino)ethyl)indolin-2-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sodium hydroxide / water / 0.25 h / 20 °C 2.1: carbonochloridic acid 1-chloro-ethyl ester; sodium hydrogencarbonate / 17 h / 85 °C 2.2: 18 h / Reflux 3.1: sodium hydroxide / water / 0.08 h 4.1: potassium carbonate / acetonitrile / 19 h / Reflux 5.1: hydrogenchloride / methanol; 1,4-dioxane / 1 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: sodium hydroxide / water / 0.25 h / 20 °C 2.1: carbonochloridic acid 1-chloro-ethyl ester; sodium hydrogencarbonate / 17 h / 85 °C 2.2: 18 h / Reflux 3.1: sodium hydroxide / water / 0.08 h 4.1: potassium carbonate / acetonitrile / 19 h / Reflux 5.1: hydrogenchloride / methanol; 1,4-dioxane / 1 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1: sodium hydroxide / water / 0.25 h 2: sodium hydrogencarbonate / 17 h / 85 °C 3: sodium hydroxide / water / 1.5 h / 20 °C 4: potassium carbonate / acetonitrile / 19 h / Reflux 5: trifluoroacetic acid / dichloromethane / 1 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1: sodium hydroxide / water / 0.25 h 2: sodium hydrogencarbonate / 17 h / 85 °C 3: sodium hydroxide / water / 1.5 h / 20 °C 4: potassium carbonate / acetonitrile / 19 h / Reflux 5: potassium carbonate / methanol; 1,4-dioxane / 1 h / 20 °C View Scheme

Ropinirole hydrochloride Specification

The Ropinirole hydrochloride with CAS registry number of 91374-20-8 is also known as 2H-Indol-2-one, 4-[2-(dipropylamino)ethyl]-1,3-dihydro-, hydrochloride (1:1). The IUPAC name is 4-[2-(Dipropylamino)ethyl]-1,3-dihydroindol-2-one hydrochloride. It belongs to product categories of Medicine intermediate; Intermediates & Fine Chemicals; Pharmaceuticals; Ropinirole. This chemical is a off-white solid and can be used as an antiparkinsonian agent or a selective dopamine D2-receptor agonist. In addition, the formula is C₁₆H₂₄N₂O.ClH and the molecular weight is 296.84.

Physical properties about Ropinirole hydrochloride are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 1.19; (8)ACD/KOC (pH 7.4): 13.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.55Å²; (13)Flash Point: 202 °C; (14)Enthalpy of Vaporization: 66.28 kJ/mol; (15)Boiling Point: 410.5 °C at 760 mmHg; (16)Vapour Pressure: 6.01E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and skin and harmful if swallowed. What's more, it's very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste and avoid release to the environment refer to special instructions/safety data sheet. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Cl.O=C2Nc1cccc(c1C2)CCN(CCC)CCC
2. InChI: InChI=1/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
3. InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYAE
4. Std. InChI: InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H
5. Std. InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intravenous	71mg/kg (71mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 24(Suppl,
rat	LD50	oral	396mg/kg (396mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 24(Suppl,

Product Name

Ropinirole hydrochloride

Synthetic route

Ropinirole hydrochloride Specification

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