3-[Benzyl(phenyl)amino]propanenitrile

Base Information

Chemical Name:3-[Benzyl(phenyl)amino]propanenitrile
CAS No.:26322-20-3
Molecular Formula:C16H16N2
Molecular Weight:236.316
Hs Code.:2926909090
European Community (EC) Number:607-914-4
DSSTox Substance ID:DTXSID70552768
Nikkaji Number:J37.753H
Wikidata:Q82433140
Mol file:26322-20-3.mol

Synonyms:26322-20-3;3-(N-benzylanilino)propanenitrile;3-[Benzyl(phenyl)amino]propanenitrile;Propanenitrile, 3-[phenyl(phenylmethyl)amino]-;N-CYANOETHYL-N-BENZYLANILINE;N-cyanoethyl-N-benzyl-aniline;SCHEMBL10932148;DTXSID70552768;ZTTPWPKJVSSSMW-UHFFFAOYSA-N;AKOS000200106;3-[phenyl(phenylmethyl)amino]-Propanenitrile

Suppliers and Price of 3-[Benzyl(phenyl)amino]propanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
N-CYANOETHYL-N-BENZYLANILINE 95.00%
5MG
$ 496.69

Total 10 raw suppliers

Chemical Property of 3-[Benzyl(phenyl)amino]propanenitrile

Chemical Property:

Vapor Pressure:3.01E-07mmHg at 25°C
Melting Point:102-103 °C
Refractive Index:1.608
Boiling Point:419.5 °C at 760 mmHg
PKA:3.82±0.50(Predicted)
Flash Point:185.4 °C
PSA：27.03000
Density:1.101 g/cm³
LogP:3.60688
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:236.131348519
Heavy Atom Count:18
Complexity:266

Purity/Quality:

98%Min ^*data from raw suppliers

N-CYANOETHYL-N-BENZYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN(CCC#N)C2=CC=CC=C2

Technology Process of 3-[Benzyl(phenyl)amino]propanenitrile

There total 3 articles about 3-[Benzyl(phenyl)amino]propanenitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.8%

: 100-44-7
benzyl chloride

: 1075-76-9
N-cyanoethylaniline

: 26322-20-3
N-(β-cyanoethyl)-N-benzylaniline

Guidance literature:: With ammonium hydroxide; tetramethlyammonium chloride; at 50 - 100 ℃; for 4h; pH=5 - 7; Reagent/catalyst; Temperature; Large scale;

Reference yield: 87.1%

: 100-44-7
benzyl chloride

: 107-13-1,25014-41-9
acrylonitrile

: 62-53-3
aniline

: 26322-20-3
N-(β-cyanoethyl)-N-benzylaniline

Guidance literature:: With magnesium(II) nitrate; zirconium(IV) nitrate; lithium hydroxide; In aq. phosphate buffer; ethanol; at 70 ℃; for 10h;