N-(2-Hydroxyethyl)-1,3-propanediamine supplier

Name
N-(2-Hydroxyethyl)-1,3-propanediamine
EINECS 224-718-0
CAS No. 4461-39-6
Article Data5
CAS DataBase
Density 0.976 g/cm³
Solubility miscible with water
Melting Point 15-19 °C
Formula C₅H₁₄N₂O
Boiling Point 240.7 °C at 760 mmHg
Molecular Weight 118.179
Flash Point 99.4 °C
Transport Information UN 2735 8/PG 3
Appearance clear liquid
Safety 26-36/37/39-45
Risk Codes 34-37-35
Molecular Structure
Hazard Symbols C
Synonyms 1,3-Diamino-N-(2-hydroxyethyl)propane;1,3-Diamino-N-(hydroxyethyl)propane;2-[(3-Aminopropyl)amino]ethanol;3-(Hydroxyethylamino)propanamine;Koei 3311;N-(2-Hydroxyethyl)-1,3-diaminopropane;N-(2-Hydroxyethyl)trimethylenediamine;N-(Aminopropyl)ethanolamine;N-(Hydroxyethyl)propane-1,3-diamine;N-(b-Hydroxyethyl)-1,3-diaminopropane;
PSA 58.28000
LogP 0.00830

Synthetic route

: 33759-44-3
3-<(2-hydroxyethyl)amino>propionitrile

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

Conditions

Conditions	Yield
With rhodium(III) oxide; gold oxide; hydrogen at 82 - 83℃; under 15001.5 Torr; for 18h; Pressure;	98.2%
With ethanol; ammonia; nickel at 120℃; under 66195.7 Torr; Hydrogenation;

: 75-21-8
oxirane

: 109-76-2
Trimethylenediamine

A: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

B: 10563-27-6
N,N'-bis(2-hydroxyethyl)-1,3-propanediamine

Conditions

Conditions	Yield
In methanol at 0℃;	A 60% B 20%

...Expand

: 503-29-7
azetidine

: 141-43-5
ethanolamine

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

Conditions

Conditions	Yield
With perchloric acid at 25℃; Rate constant; Thermodynamic data; E(a), ΔS(excit.);

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 17648-03-2
9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione

: 65271-79-6
1,4-bis({3-[(2-hydroxyethyl)amino]-propyl}amino)-9,10-dihydroanthracene-9,10-dione

Conditions

Conditions	Yield
Stage #1: 2-[(3-aminopropyl)amino]ethanol; 9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione In acetonitrile at 50℃; for 1h; Inert atmosphere; Stage #2: With air at 50℃; for 1h;	99%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 23545-42-8
dibromohydrate du N-(bromoethyl-2)diamino-1,3 propane

Conditions

Conditions	Yield
Stage #1: 2-[(3-aminopropyl)amino]ethanol With hydrogen bromide In sulfolane at 90 - 119℃; Stage #2: With phosphorus tribromide In sulfolane at 120℃; for 1h; Product distribution / selectivity;	96%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 55159-49-4
2-(3-aminopropylamino)ethyl bromide

Conditions

Conditions	Yield
Stage #1: 2-[(3-aminopropyl)amino]ethanol With hydrogen bromide In ethanol at 13 - 15℃; for 2h; Stage #2: In methanol for 1h; Time; Reflux;	91%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 110-85-0
piperazine

Conditions

Conditions	Yield
With phosphorus pentachloride In tetrachloromethane at 30 - 60℃; for 20h; Inert atmosphere;	90%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: methyl 1-(2-fluorophenylmethyl)-1H-indazole-3-carboxylate

: 1-(2-fluoro-benzyl)-1H-indazole-3-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
at 20℃; for 96h;	85%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 3-chloro-8,9-methylenedioxyindeno[1,2-c]isochromene-5,12-dione

: 3-chloro-5,6-dihydro-6-(3-((2-hydroxyethyl)amino)-propyl)-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline

Conditions

Conditions	Yield
In chloroform for 22h; Reflux; Inert atmosphere;	84%

: 75618-33-6
7-chloro-3-(3,4-dichlorophenyl)-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 80092-44-0
7-Chloro-3-(3,4-dichloro-phenyl)-10-hydroxy-1-[(E)-3-(2-hydroxy-ethylamino)-propylimino]-1,3,4,10-tetrahydro-2H-acridin-9-one

Conditions

Conditions	Yield
In ethanol for 1.5h; Heating;	83%

: 75-15-0
carbon disulfide

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 1700-37-4
3-Benzyloxybenzaldehyde

: 6046-93-1
copper(II) acetate monohydrate

: C40H46CuN4O4S4

Conditions

Conditions	Yield
Stage #1: 2-[(3-aminopropyl)amino]ethanol; 3-Benzyloxybenzaldehyde With carbon disulfide In methanol at 20℃; for 2h; Stage #2: carbon disulfide In methanol for 0.666667h; Stage #3: copper(II) acetate monohydrate In methanol for 4h;	81%

...Expand

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 3-fluoro-8,9-methylenedioxyindeno[1,2-c]isochromene-5,12-dione

: 3-fluoro-5,6-dihydro-6-(3-(2-hydroxyethyl)amino)-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline

Conditions

Conditions	Yield
In chloroform for 3.5h; Reflux; Inert atmosphere;	76%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 24424-99-5
di-tert-butyl dicarbonate

: 162339-83-5
(3-tert-BOCamino-propyl)-(2-hydroxy-ethyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
In dichloromethane at 20℃;	71%

: 874903-60-3
4-chloro-2-(4-methoxyphenyl)-pyrimido[5,4-c]cinnoline

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 2-[(3-[2-(4-methoxyphenyl)-pyrimido[5,4-c]cinnolin-4-yl]aminopropyl)amino]ethanol

Conditions

Conditions	Yield
In ethanol for 0.333333h; Heating;	68%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 2-(3-cyanobenzyloxy)-4-(2-methyl-(1,1’-diphenyl)-3-yl-methoxyl)benzaldehyde

: 3-[[2-[1-(2-hydroxyethyl)-5,6-dihydro-4H-pyrimidin-2-yl]-5-((2-methyl-3-phenylphenyl)methoxy)phenoxy]methyl]benzonitrile hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-[(3-aminopropyl)amino]ethanol; 2-(3-cyanobenzyloxy)-4-(2-methyl-(1,1’-diphenyl)-3-yl-methoxyl)benzaldehyde With iodine; potassium carbonate In tert-butyl alcohol at 70℃; for 3h; Stage #2: With hydrogenchloride In water; acetonitrile for 0.333333h;	67%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 78-98-8
2-oxopropanal

: 2-hydroxy-2-methylhexahydropyrimidino[1,2-c]morpholine

Conditions

Conditions	Yield
In water for 12h; Ambient temperature;	66%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 501-53-1
benzyl chloroformate

: 142253-82-5
{3-[Benzyloxycarbonyl-(2-hydroxy-ethyl)-amino]-propyl}-carbamic acid benzyl ester

Conditions

Conditions	Yield
With sodium hydroxide at 0 - 20℃; for 25h;	64%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 41354-03-4
AF 1311TS

: 1-benzyl-1H-indazole-3-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
Stage #1: AF 1311TS With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 2-[(3-aminopropyl)amino]ethanol In N,N-dimethyl-formamide at 20℃; for 24h;	64%

: 858100-01-3
5-(biphenyl-4-yl)-1,3,4-oxadiazole-2-carboxylic acid ethyl ester

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 5-biphenyl-4-yl-[1,3,4]oxadiazole-2-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
In dichloromethane at 20℃;	63%

: copper(II) perchlorate hexahydrate

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: Cu4(C5H13N2O)4(4+)*4ClO4(1-)*H2O = [Cu4(C5H13N2O)4](ClO4)4*H2O

Conditions

Conditions	Yield
In methanol; water pH 8;	60%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 58632-95-4
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

: 162339-83-5
(3-tert-BOCamino-propyl)-(2-hydroxy-ethyl)-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
In tetrahydrofuran for 12h; Ambient temperature;	58%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 50264-61-4
1-(3-chlorophenylmethyl)-1H-indazole-3-carboxylic acid

: 1-(3-chloro-benzyl)-1H-indazole-3-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
Stage #1: 1-(3-chlorophenylmethyl)-1H-indazole-3-carboxylic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 2-[(3-aminopropyl)amino]ethanol In N,N-dimethyl-formamide at 20℃; for 24h;	58%

: 874903-59-0
4-chloro-2-phenyl-pyrimido[5,4-c]cinnoline

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 2-[(3-[2-phenyl-pyrimido[5,4-c]cinnolin-4-yl]aminopropyl)-amino]ethanol

Conditions

Conditions	Yield
In ethanol for 0.333333h; Heating;	57%

: 40019-23-6
3-(biphenyl-4-yl)-1,2,4-oxadiazole-5-carboxylic acid ethyl ester

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 3-biphenyl-4-yl-[1,2,4]oxadiazole-5-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
In dichloromethane at 20℃;	56%

: 53966-34-0
3-(4-trifluoromethylphenyl)-7-chloro-10-hydroxy-3,4-dihydroacridine-1,9(2H,10H)-dione

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 80108-21-0
7-Chloro-10-hydroxy-1-[(E)-3-(2-hydroxy-ethylamino)-propylimino]-3-(4-trifluoromethyl-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

Conditions

Conditions	Yield
In benzene for 2h; Heating;	53%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 161316-40-1
(1S,3'S,5'S)-N-(2-cyclohexyl-1-(3-isopropyl-2-oxo-2,3,4,5-tetrahydrofuran-5-yl)ethyl)-(1S)-(1-((4-(methoxymethoxy)piperidin-1-yl)carbonyl)-2-phenylethyl)-L-norleucinamide

: (2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymethoxy-piperidin-1-yl)-2-oxo-ethylamino]-hexanoylamino}-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
With acetic acid at 85℃; for 24h;	52%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 50264-60-3
1-(2-chlorophenylmethyl)-1H-indazole-3-carboxylic acid

: 1-(2-chloro-benzyl)-1H-indazole-3-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions

Conditions	Yield
Stage #1: 1-(2-chlorophenylmethyl)-1H-indazole-3-carboxylic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 2-[(3-aminopropyl)amino]ethanol In N,N-dimethyl-formamide at 20℃; for 24h;	44%

: 131543-46-9
Glyoxal

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

A: 7,15-dioxa-4,8,12,16-tetraazaperhydroperylene

B: 2-hydroxyhexahydropyrimidino<1,2-c>morpholine

Conditions

Conditions	Yield
In water Ambient temperature;	A 11% B 38%

...Expand

: 874903-63-6
4-chloro-2-(2-furyl)-pyrimido[5,4-c]cinnoline

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 2-[(3-[(2-furyl)pyrimido[5,4-c]cinnolin-4-yl]aminopropyl)amino]ethanol

Conditions

Conditions	Yield
In ethanol for 0.333333h; Heating;	36%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 86151-52-2
N-(1-Methyl-5-nitro-1H-imidazol-2-yl)-formimidic acid ethyl ester

: 86151-40-8
C15H22N10O5

Conditions

Conditions	Yield
In benzene Heating;	30%

: 4461-39-6
2-[(3-aminopropyl)amino]ethanol

: 57-13-6
urea

: 53386-63-3
1-(2-hydroxyethyl)tetrahydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
In neat (no solvent) at 130℃; for 10h; Sealed tube;	14%

N-(2-Hydroxyethyl)-1,3-propanediamine Specification

N-(2-Hydroxyethyl)-1,3-propanediamine, with the CAS NO.4461-39-6, has the synonyms of 2-(3-Aminopropylamino)ethanol; 09293_FLUKA; 2-(3-Amino-propylamino)-ethanol; HEAPA; N-(2-Hydroxyethyl)propan-1,3-diamine. The Molecular Formula is C₅H₁₄N₂O and the Molecular Weight is 118.18

Physical properties about N-(2-Hydroxyethyl)-1,3-propanediamine are: (1)ACD/LogP: -1.294; (2)ACD/LogD (pH 5.5): -5.38; (3)ACD/LogD (pH 7.4): -4.56; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 33.878 cm³; (13)Molar Volume: 121.069 cm³; (14)Polarizability: 13.43 10-24cm³; (15)Surface Tension: 40.173999786377 dyne/cm; (16)Density: 0.976 g/cm³; (17)Flash Point: 99.38 °C; (18)Enthalpy of Vaporization: 55.509 kJ/mol; (19)Boiling Point: 240.713 °C at 760 mmHg; (20)Vapour Pressure: 0.00600000005215406 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2;
(2)InChIKey=GHKSKVKCKMGRDU-UHFFFAOYSA-N;
(3)SmilesN(CCCN)CCO;

Product Name

N-(2-Hydroxyethyl)-1,3-propanediamine

Synthetic route

N-(2-Hydroxyethyl)-1,3-propanediamine Specification

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