3-[(1-Phenylethyl)amino]propanenitrile

Base Information

Chemical Name:3-[(1-Phenylethyl)amino]propanenitrile
CAS No.:112971-19-4
Molecular Formula:C11H14N2
Molecular Weight:174.246
Hs Code.:2926909090
DSSTox Substance ID:DTXSID20604862
Mol file:112971-19-4.mol

Synonyms:112971-19-4;3-[(1-PHENYLETHYL)AMINO]PROPANENITRILE;3-(1-Phenylethylamino)propanenitrile;3-((1-Phenylethyl)amino)propanenitrile;SCHEMBL2226578;DTXSID20604862;AKOS005188326

Suppliers and Price of 3-[(1-Phenylethyl)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

Matrix Scientific
3-[(1-Phenylethyl)amino]propanenitrile
500mg
$ 199.00

Crysdot
3-((1-Phenylethyl)amino)propanenitrile 97%
5g
$ 704.00

American Custom Chemicals Corporation
3-(1-PHENYLETHYLAMINO)PROPANENITRILE 98.00%
500MG
$ 795.80

AK Scientific
3-[(1-Phenylethyl)amino]propanenitrile
500mg
$ 318.00

Total 8 raw suppliers

Chemical Property of 3-[(1-Phenylethyl)amino]propanenitrile

Chemical Property:

Boiling Point:302.3 °C at 760 mmHg
Flash Point:136.6 °C
PSA：35.82000
Density:0.997 g/cm³
LogP:2.64178
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:174.115698455
Heavy Atom Count:13
Complexity:174

Purity/Quality:

98%min ^*data from raw suppliers

3-[(1-Phenylethyl)amino]propanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)NCCC#N

Technology Process of 3-[(1-Phenylethyl)amino]propanenitrile

There total 3 articles about 3-[(1-Phenylethyl)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: 92.0%

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

: 618-36-0
rac-methylbenzylamine

: 112971-19-4
3-(1-phenylethylamino)propionitrile

Guidance literature:: With Ps-AlCl₃; at 20 ℃; for 2h; chemoselective reaction;
DOI:10.1016/j.tet.2012.12.037

Reference yield:

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

: 618-36-0
rac-methylbenzylamine

: 112971-19-4
3-(1-phenylethylamino)propionitrile

: 3-[(2-Cyano-ethyl)-(1-phenyl-ethyl)-amino]-propionitrile

Guidance literature:: With indium(III) chloride; In water; Yield given. Yields of byproduct given. Title compound not separated from byproducts; 1.) r.t., 10 min, 2.) r.t., 20 h;
DOI:10.1055/s-1998-1845