N-Benzylisopropylamine supplier

Name
N-(1-Methylethyl)-benzenemethanamine
EINECS 203-067-6
CAS No. 102-97-6
Article Data79
CAS DataBase
Density 0.907 g/cm³
Solubility
Melting Point 143°C (estimate)
Formula C₁₀H₁₅N
Boiling Point 199.999 °C at 760 mmHg
Molecular Weight 149.236
Flash Point 87.778 °C
Transport Information UN 2735
Appearance Clear, very slightly yellow to yellow liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzylamine,N-isopropyl- (6CI,7CI,8CI);(1-Methylethyl)(phenylmethyl)amine;Benzylisopropylamine;Isopropylbenzylamine;N-(1-Methylethyl)benzenemethanamine;N-Benzyl-N-isopropylamine;N-Benzylpropan-2-amine;N-Isopropyl-N-benzylamine;
PSA 12.03000
LogP 2.57550

Synthetic route

: 67-63-0
isopropyl alcohol

: 100-46-9
benzylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With C13H20N2O*Ir(1+); hydrogen at 80℃; under 3000.3 Torr; for 23h; Reagent/catalyst; Autoclave; Green chemistry;	100%
With nickel at 20℃; for 26h;	70%
Pt on TiO2 for 10h; Ambient temperature; Irradiation;	36.32%

: 1-benzyl-2-(chloromethyl)aziridine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 6h; Reflux;	98%

: 108-18-9
diisopropylamine

: 100-46-9
benzylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere;	97%
With [(C5Me4)(CH2)3(C5Me4)(IrI2)2]m In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Schlenk technique; Reflux;	96%

: 5440-69-7
N-isopropylbenzamide

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
Stage #1: N-isopropylbenzamide With 2-fluoropyridine; trifluoromethylsulfonic anhydride In dichloromethane at 0℃; for 0.333333h; Stage #2: With 1,1,3,3-Tetramethyldisiloxane In dichloromethane at 0 - 20℃; for 3.16667h; Stage #3: With tris(pentafluorophenyl)borate In dichloromethane at 0 - 20℃;	94%
With lithium aluminium tetrahydride In diethyl ether for 5h; Heating;
With diphenylsilane; triphenylphosphine; chloro(1,5-cyclooctadiene)rhodium(I) dimer In tetrahydrofuran at 20℃; for 48h;	80 % Spectr.

: 27845-51-8
(E)-N-benzylidenepropan-2-amine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With titanocene dichloride; butyl magnesium bromide In diethyl ether at 25℃; for 15h; Mechanism; var. aldimine and cyclic ketimine substr.; var. quant. of catalyst;	94%
With titanocene dichloride; butyl magnesium bromide In diethyl ether at 25℃; for 15h;	94%

: 6852-56-8
N-benzylideneisopropylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With sodium tetrahydroborate; (-) In ethanol at 20℃; for 72h;	92%
With ammonia borane at 20℃; for 12h;	75%
With sodium tetrahydroborate In methanol at 20℃; for 1h;

: 100-52-7
benzaldehyde

: 75-31-0
isopropylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With bis(benzonitrile)palladium(II) dichloride; hydrogen; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt at 100℃; under 10343 Torr; for 24h;	90%
With sodium tetrahydroborate In 2,2,2-trifluoroethanol at 35 - 40℃; for 0.0333333h;	90%
Stage #1: benzaldehyde; isopropylamine In tetrahydrofuran; methanol for 6h; Molecular sieve; Stage #2: With sodium tetrahydroborate In tetrahydrofuran; methanol at 0 - 20℃; for 2h;	85%

: 67-64-1
acetone

: 100-46-9
benzylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With iridium bromide; sulfuric acid; zinc In 1,4-dioxane; water at 30℃; for 72h;	88%
With sodium hydrogen telluride In ethanol for 20h; Ambient temperature;	80%
With sodium tris(acetoxy)borohydride In dichloromethane at 30℃;	70%

: 34636-09-4
benzyldiisopropylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With iodine; sodium carbonate In chloroform at 60℃; for 24h;	86%

: 100-44-7
benzyl chloride

: 75-31-0
isopropylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With copper(l) chloride In ethanol at 40℃; Reagent/catalyst; Solvent; Temperature;	85.3%
With sodium carbonate In glycerol

: 25662-24-2
N-benzyl-2-(bromomethyl)aziridine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether Reflux;	82%

: 100-52-7
benzaldehyde

: 15576-36-0
Isopropylamine hydroperchlorate

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride In N,N-dimethyl-formamide at 20℃; for 4h; Reductive amination;	73%

: 34636-09-4
benzyldiisopropylamine

: 766-08-5
methylphenylsilane

A: 102-97-6
Benzyl-isopropyl-amin

B: methyl(phenyl)(1-propyl)silane

Conditions

Conditions	Yield
With tris(pentafluorophenyl)borate In chlorobenzene at 130℃; for 36h; Inert atmosphere; Glovebox;	A 70% B 36%

...Expand

: 10229-64-8, 143957-81-7, 300802-10-2
(Z)‑N‑isopropyl‑1‑phenylmethanimine oxide

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; lithium; nickel dichloride In tetrahydrofuran at 20℃; for 6h;	67%

: 6873-90-1
N-benzyl-4-methylbenzenesulfinamide

: 67-63-0
isopropyl alcohol

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With nickel at 20℃; for 6h;	65%

: 67-64-1
acetone

: 932-90-1
Benzaldoxime

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With hydrogen; magnesium oxide; copper at 220℃; under 11250.9 Torr;	61%

: 108-18-9
diisopropylamine

: 103-49-1
dibenzylamine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere;	60%

: 27845-51-8
(E)-N-benzylidenepropan-2-amine

A: 55079-98-6
N,N'-diisopropyl-1,2-diphenyl-1,2-ethanediamine

B: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With sodium hydroxide; zinc In water for 5.2h; Ambient temperature;	A 20% B 53%
With samarium diiodide In tetrahydrofuran at 180℃; under 8250.66 - 10500.8 Torr; for 0.0833333h; Product distribution; Further Variations:; Reagents; time; microwave irradiation;

: 100-39-0
benzyl bromide

: 75-31-0
isopropylamine

A: 102-97-6
Benzyl-isopropyl-amin

B: 55578-14-8
N-isopropyl-N,N-dibenzylamine

Conditions

Conditions	Yield
With sodium hydroxide	A 51% B 27%

...Expand

: 68723-26-2
N-isopropyl-N-ethylbenzylamine

A: 102-97-6
Benzyl-isopropyl-amin

B: 14321-27-8
N-ethylbenzylamine

Conditions

Conditions	Yield
With iodine; sodium carbonate In chloroform at 60℃; for 24h;	A 34% B 41%

: 75-31-0
isopropylamine

: 100-51-6
benzyl alcohol

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
Pt on TiO2 for 20h; Ambient temperature; Irradiation;	4.9%

: 100-39-0
benzyl bromide

: 75-31-0
isopropylamine

: 102-97-6
Benzyl-isopropyl-amin

: 72846-70-9, 72846-71-0, 6668-39-9
isopropyl phenyl ketoxime

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
(i) PCl5, benzene, Et2O, (ii) LiAlH4; Multistep reaction;

: Diisopropoxycarbenium-tetrafluoroborat

: 100-47-0
benzonitrile

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
(i) CH2Cl2, (ii) EtOH, (iii) NaBH4; Multistep reaction;

: C28H29NP(1+)*I(1-)

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With water; hydroxide

: 76757-59-0
Isopropyl-[2,2,2-trichloro-1-phenyl-eth-(E)-ylidene]-amine

A: 4164-23-2
1-isopropyl-2-phenyl-aziridine

B: 19302-16-0
N-isopropyl-(+/-)-α-methylbenzylamine

C: 52007-97-3
N-isopropyl-N-(2-phenylethyl)amine

D: 102-97-6
Benzyl-isopropyl-amin

E: 68058-02-6
N-(2-hydroxy-1-phenylethyl)-N-isopropylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 7h; Product distribution; Heating; various molar ratios, solvents, time. Other N-alkyl- and N-aryltrichloroacetophenone imines;	A 5 % Chromat. B 4 % Chromat. C 64 % Chromat. D 15 % Chromat. E 9 % Chromat.

...Expand

: 27845-51-8
(E)-N-benzylidenepropan-2-amine

A: 102-97-6
Benzyl-isopropyl-amin

B: 55079-98-6
(R,S)-N,N'-di(1-methylethyl)-1,2-diphenyl-1,2-ethylenediamine

: (R*,R*)-N,N'-di(1-methylethyl)-1,2-diphenyl-1,2-ethylenediamine

Conditions

Conditions	Yield
With ammonium hydroxide; chloro-trimethyl-silane; water; ammonium chloride; ethylene dibromide; zinc 1.) CH3CN, 35 deg C, 1 h, 2.) CH3CN, 0 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 67-63-0
isopropyl alcohol

: 100-46-9
benzylamine

A: 34636-09-4
benzyldiisopropylamine

B: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With γ-Al2O3 In gaseous matrix at 230℃; Yield given; Yields of byproduct given;

...Expand

benzaldehyde isopropylimine: benzaldehyde isopropylimine

: 102-97-6
Benzyl-isopropyl-amin

Conditions

Conditions	Yield
With ethanol; nickel Hydrogenation;

: 103-82-2
phenylacetic acid

: 102-97-6
Benzyl-isopropyl-amin

: N-benzyl-N-isopropyl-2-phenylacetamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 14h; Inert atmosphere;	100%

: 2402-78-0
2,6-dichloropyridine

: 102-97-6
Benzyl-isopropyl-amin

: 464170-02-3
2-(N-benzylisopropylamino)-6-chloropyridine

Conditions

Conditions	Yield
Stage #1: Benzyl-isopropyl-amin With n-butyllithium In hexane; toluene at -64 - 0℃; Stage #2: 2,6-dichloropyridine In hexane; toluene at 4 - 20℃;	99%
With n-butyllithium

: 102-97-6
Benzyl-isopropyl-amin

: 298-12-4
Glyoxilic acid

: 98-80-6
phenylboronic acid

: N-benzyl-N-isopropyl-α-phenylglycine

Conditions

Conditions	Yield
In dichloromethane for 48h; Petasis reaction;	99%

...Expand

: 75-15-0
carbon disulfide

: nickel(II) chloride hexahydrate

: 102-97-6
Benzyl-isopropyl-amin

: 82421-76-9
(benzylisopropyldithiocarbamate)2 nickel(II)

Conditions

Conditions	Yield
In ethanol; water mixing amine and CS2 in EtOH, standing for 15 min, addn. of warm H2O soln. of Ni-salt, standing for 1 h; collection (filtration), washing (warm H2O), drying (IR-lamp); elem. anal.;	99%

...Expand

: 102-97-6
Benzyl-isopropyl-amin

A: 10229-64-8, 143957-81-7, 300802-10-2
(Z)‑N‑isopropyl‑1‑phenylmethanimine oxide

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With dihydrogen peroxide; PCWP In chloroform at 40℃; for 2h;	A 98% B 2%

: 102-97-6
Benzyl-isopropyl-amin

: 598-21-0
2-Bromoacetyl bromide

: 100140-99-6
N-isopropyl-N-(phenylmethyl)-2-bromoacetamide

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 1h;	98%
With triethylamine In dichloromethane Ambient temperature;
With triethylamine In chloroform at 0 - 20℃; for 24h;
With triethylamine In dichloromethane at 0 - 20℃;	52.2 g

: 1694-31-1
tert-butyl acetoacetate

: 102-97-6
Benzyl-isopropyl-amin

: N-(1-methylethyl)-3-oxo-N-(phenylmethyl)butanamide

Conditions

Conditions	Yield
at 100 - 115℃; under 100 Torr;	97%

: 36291-49-3
3-bromocycloheptene

: 102-97-6
Benzyl-isopropyl-amin

: 1393659-10-3
(RS)-3-(N-Benzyl-N-isopropylamino)cyclohept-1-ene

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran at 50℃; for 16h; Kinetics;	96%

: 75-15-0
carbon disulfide

: 773-82-0
Pentafluorobenzonitrile

: 102-97-6
Benzyl-isopropyl-amin

: 4-cyano-2,3,5,6-tetrafluorophenyl-N-benzyl-N-isopropylcarbamodithioate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; Benzyl-isopropyl-amin With potassium phosphate In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; Stage #2: Pentafluorobenzonitrile In dimethyl sulfoxide at 20℃; for 2h; Schlenk technique; Green chemistry; regioselective reaction;	96%

...Expand

: 102-97-6
Benzyl-isopropyl-amin

: 10229-64-8, 143957-81-7, 300802-10-2
N-benzylideneisopropylamine N-oxide

Conditions

Conditions	Yield
With dihydrogen peroxide; trichloroacetonitrile In methanol; water at 0 - 25℃; for 8h;	95%
With sodium tungstate; dihydrogen peroxide In methanol; water at 20℃;	48%
With α-D-glucose 6-phosphate; oxygen; NADP; cyclohexanone monooxygenase at 25℃; for 24h; pH=8.6; Enzymatic reaction;
With air; cyclohexanone monooxygenase from Escherichia coli; NADPH In water at 25℃; pH=8.6; Enzyme kinetics;

: 102-97-6
Benzyl-isopropyl-amin

: 20689-97-8
N-benzyl-N-isopropylnitrous amide

Conditions

Conditions	Yield
With N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide; water; silica gel; sodium nitrite In dichloromethane at 20℃; for 0.05h; Reagent/catalyst;	95%
With sodium nitrite In dichloromethane at 20℃; for 0.0833333h;	89%
With acetic acid; sodium nitrite In water at 0 - 20℃; for 1h; Inert atmosphere;

: 527-72-0
2-thiophenylcarboxylic acid

: 102-97-6
Benzyl-isopropyl-amin

: N-benzyl-N-isopropylthiophene-2-carboxamide

Conditions

Conditions	Yield
Stage #1: 2-thiophenylcarboxylic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate at 20℃; for 0.166667h; Stage #2: Benzyl-isopropyl-amin at 20℃; for 1h;	95%

: 96-09-3
styrene oxide

: 102-97-6
Benzyl-isopropyl-amin

: 87040-39-9
(+/-)-benzylisopropyl(α-hydroxyphenethyl)amine

Conditions

Conditions	Yield
In water; toluene for 3h; Heating;	94%

: 102-97-6
Benzyl-isopropyl-amin

: 6852-56-8
N-benzylideneisopropylamine

Conditions

Conditions	Yield
With oxygen In para-xylene at 110℃; for 1.5h;	94%
With 5,10,15,20-tetrakisphenylporphyrin; oxygen In ethyl acetate at 20℃; under 760.051 Torr; for 9h; Molecular sieve; Irradiation; regioselective reaction;	92%
With 5,15,10,20-tetraphenylporphyrin In acetonitrile at 30℃; for 1h; Irradiation;	80%

: 5-methyl-imidazo[5,1-b][1,3,4]thiadiazole-2-carboxylic acid hydrochloride

: 102-97-6
Benzyl-isopropyl-amin

: 5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxylic acid benzylisobutylamide

Conditions

Conditions	Yield
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 2h;	94%

: 29769-77-5
3-methoxy-4-methyl-3-cyclobutene-1,2-dione

: 102-97-6
Benzyl-isopropyl-amin

: 3-(benzyl(isopropyl)amino)-4-methylcyclobut-3-ene-1,2-dione

Conditions

Conditions	Yield
In methanol at 20℃; for 4h;	94%

: 102-97-6
Benzyl-isopropyl-amin

: 76-05-1
trifluoroacetic acid

: N-benzyl-N-(2,2,2-trifluoroethyl)propan-2-amine

Conditions

Conditions	Yield
With potassium phosphate; 18-crown-6 ether; phenylsilane In tetrahydrofuran at 80℃; for 4h; Glovebox; Molecular sieve; Schlenk technique;	94%

: 102-97-6
Benzyl-isopropyl-amin

: 106-95-6
allyl bromide

: 247033-00-7
N-benzyl-N-isopropylallylamine

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide for 1h; Ambient temperature;	93%

: 102-97-6
Benzyl-isopropyl-amin

: 107-18-6
allyl alcohol

: 247033-00-7
N-benzyl-N-isopropylallylamine

Conditions

Conditions	Yield
With ammonium hexafluorophosphate; [Pt(η3-C3H5)(DPP-Xantphos)]PF6 In toluene; acetonitrile at 50℃; for 8h; Inert atmosphere;	93%

: 334-56-5
1-fluorodecane

: 102-97-6
Benzyl-isopropyl-amin

: N-benzyl-N-isopropyl-1-decylamine

Conditions

Conditions	Yield
With tris(bis(trimethylsilyl)amido)lanthanum(III) In dichloromethane at 20℃; for 7h; Inert atmosphere; chemoselective reaction;	93%

: 99440-99-0
2-hydroxycyclobutanone

: 102-97-6
Benzyl-isopropyl-amin

: 2-(benzyl(isopropyl)amino)cyclobutanone

Conditions

Conditions	Yield
With dmap In toluene at 20℃; for 15h;	93%
With dmap In 1,4-dioxane at 20℃; for 1h;

: 102-97-6
Benzyl-isopropyl-amin

: 530-62-1
1,1'-carbonyldiimidazole

: 55245-48-2
N-benzyl-N-isopropyl-1H-imidazole-1-carboxamide

Conditions

Conditions	Yield
In tetrahydrofuran for 16h; Heating;	92%

: C15H13ClFN3O2

: 102-97-6
Benzyl-isopropyl-amin

: 4-(2-fluoro-phenyl)-2-morpholin-4-yl-pyrimidine-5-carboxylic acid benzyl-isopropyl-amide

Conditions

Conditions	Yield
In toluene at 0 - 20℃; for 1.5h;	92%

: 1046427-59-1
methyl (RS)-5-tris(phenylthio)methylcyclopent-1-enecarboxylate

: 102-97-6
Benzyl-isopropyl-amin

: methyl (1RS,2SR,5SR)-2-(N-benzyl-N-isopropylamino)-5-tris(phenylthio)methylcyclopentanecarboxylate

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h;	92%

N-Benzylisopropylamine Specification

The Benzenemethanamine,N-(1-methylethyl)-, with the CAS registry number 102-97-6, is also known as N-Benzylisopropylamine. Its EINECS registry number is 203-067-6. This chemical's molecular formula is C₁₀H₁₅N and molecular weight is 149.23. What's more, both its IUPAC name and systematic name are the same which is called N-Benzylpropan-2-amine. It should be stored in a cool, dry and well-ventilated place. It is a chemical compound used as an intermediate in the pharmaceutical industry as a precursor to the manufacture of some drugs.

Physical properties about Benzenemethanamine,N-(1-methylethyl)- are: (1)ACD/LogP: 2.296; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): 0.00; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.12; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 48.621 cm³; (15)Molar Volume: 164.457 cm³; (16)Polarizability: 19.275×10^-24cm³; (17)Surface Tension: 31.233 dyne/cm; (18)Density: 0.907 g/cm³; (19)Flash Point: 87.778 °C; (20)Enthalpy of Vaporization: 43.621 kJ/mol; (21)Boiling Point: 199.999 °C at 760 mmHg; (22)Vapour Pressure: 0.332 mmHg at 25 °C.

Preparation of Benzenemethanamine,N-(1-methylethyl)-: this chemical can be prepared by propan-2-one with benzylamine. This reaction needs reagent NaHTe and solvent ethanol at ambient temperature. The reaction time is 20 hours. The yield is 80 %.

Benzenemethanamine,N-(1-methylethyl)- can be prepared by propan-2-one with benzylamine.

Uses of Benzenemethanamine,N-(1-methylethyl)-: it is used to produce other chemicals. For example, it can react with acetic acid 2-cyano-1-methyl-allyl ester to get (E)-2-(N-benzyl-N-isopropylaminomethyl)but-2-enenitrile. The reaction needs with solvent tetrahydrofuran at ambient temperature. The reaction time is 24 hours. The yield is 78 %.

Benzenemethanamine,N-(1-methylethyl)- can react with acetic acid 2-cyano-1-methyl-allyl ester to get (E)-2-(N-benzyl-N-isopropylaminomethyl)but-2-enenitrile.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: N(C(C)C)Cc1ccccc1
(2) InChI: InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
(3) InChIKey: LYBKPDDZTNUNNM-UHFFFAOYSA-N

Product Name

N-(1-Methylethyl)-benzenemethanamine

Synthetic route

N-Benzylisopropylamine Specification

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