3-(Benzylamino)propionitrile

Base Information Edit

Chemical Name:3-(Benzylamino)propionitrile
CAS No.:706-03-6
Molecular Formula:C10H12N2
Molecular Weight:160.219
Hs Code.:29269095
European Community (EC) Number:211-890-7
DSSTox Substance ID:DTXSID20220889
Nikkaji Number:J193.074E
Wikidata:Q83098394
ChEMBL ID:CHEMBL4562701
Mol file:706-03-6.mol

Synonyms:3-(Benzylamino)propanenitrile;3-(Benzylamino)propionitrile;706-03-6;N-Benzyl-2-cyanoethylamine;Propanenitrile, 3-[(phenylmethyl)amino]-;EINECS 211-890-7;AI3-20448;Propanenitrile, 3-((phenylmethyl)amino)-;beta-cyanoethylbenzylamine;3-benzylamino-propionitrile;3-(benzylamino)propanitrile;NCIOpen2_000834;N-(2-Cyanoethyl)benzylamine;2-(benzylamino)ethyl cyanide;3-(benzylamino) propionitrile;3-(benzylamino)-propionitrile;SCHEMBL421501;3-(N-benzylamino)propionitrile;beta-(Benzylamino)propionitrile;CHEMBL4562701;3-(Benzylamino)propanenitrile #;MWTGBAURSCEGSL-UHFFFAOYSA-;DTXSID20220889;Propionitrile, 3-(benzylamino)-;.beta.-(Benzylamino)propionitrile;3-(phenylmethylamino)propanenitrile;STR04770;3-(Benzylamino)propionitrile, 97%;BBL023619;MFCD00001955;STK864417;AKOS004910576;SB75951;EN300-49127

Suppliers and Price of 3-(Benzylamino)propionitrile

Supply Marketing:Edit

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

TRC
β-(Benzylamino)propionitrile
50g
$ 375.00

Sigma-Aldrich
3-(Benzylamino)propionitrile 97%
25g
$ 49.70

Sigma-Aldrich
3-(Benzylamino)propionitrile 97%
100g
$ 162.00

Matrix Scientific
3-(Benzylamino)propanenitrile
500mg
$ 199.00

Crysdot
3-(Benzylamino)propanenitrile 95+%
5g
$ 704.00

American Custom Chemicals Corporation
3-(BENZYLAMINO)PROPIONITRILE 95.00%
500MG
$ 795.80

Alichem
3-(Benzylamino)propanenitrile
5g
$ 746.55

Alfa Aesar
3-(Benzylamino)propionitrile, 97+%
100g
$ 208.00

Alfa Aesar
3-(Benzylamino)propionitrile, 97+%
25g
$ 72.20

Alfa Aesar
3-(Benzylamino)propionitrile, 97+%
5g
$ 22.40

Total 20 raw suppliers

Chemical Property of 3-(Benzylamino)propionitrile Edit

Chemical Property:

Vapor Pressure:0.00106mmHg at 25°C
Melting Point:70 °C
Refractive Index:n20/D 1.5308(lit.)
Boiling Point:301.4 °C at 760 mmHg
PKA:7.29±0.19(Predicted)
Flash Point:136.1 °C
PSA：35.82000
Density:1.017 g/cm³
LogP:2.08078
Storage Temp.:Refrigerator
Solubility.:Soluble in DMSO.
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:160.100048391
Heavy Atom Count:12
Complexity:151

Purity/Quality:

98%,99%, ^*data from raw suppliers

β-(Benzylamino)propionitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CNCCC#N
Uses 3-(BenzylaMino)propionitrile is used in the michael addition of primary and secondary amines to acrylonitrile catalyzed by lipases. 3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:(3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile

Technology Process of 3-(Benzylamino)propionitrile

There total 12 articles about 3-(Benzylamino)propionitrile 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: 98.0%