3-(Phenyl(2-phenylethyl)amino)propiononitrile

Base Information

• Chemical Name: 3-(Phenyl(2-phenylethyl)amino)propiononitrile
• CAS No.: 17601-74-0
• Molecular Formula: C17H18 N2
• Molecular Weight: 250.33822
• Hs Code.: 2926909090
• European Community (EC) Number: 241-572-3
• UNII: 9U9JQL6AH3
• DSSTox Substance ID: DTXSID30170068
• Nikkaji Number: J287.084C
• Wikidata: Q83039920
• Mol file: 17601-74-0.mol

Synonyms:17601-74-0;3-(Phenyl(2-phenylethyl)amino)propiononitrile;3-[N-(2-phenylethyl)anilino]propanenitrile;EINECS 241-572-3;3-[Phenyl(2-phenylethyl)amino]propiononitrile;9U9JQL6AH3;N-(2-CYANOETHYL)-N-(2-PHENYLETHYL)-ANILINE;Propanenitrile, 3-(phenyl(2-phenylethyl)amino)-;Propanenitrile, 3-[phenyl(2-phenylethyl)amino]-;3-[phenyl(2-phenylethyl)amino]propanenitrile;UNII-9U9JQL6AH3;SCHEMBL8055910;DTXSID30170068;AKOS000200151;3-[Phenethyl(phenyl)amino]propanenitrile;W-110458

Chemical Property of 3-(Phenyl(2-phenylethyl)amino)propiononitrile

Chemical Property:

• Vapor Pressure: 1.06E-07mmHg at 25°C
• Boiling Point: 432.9°Cat760mmHg
• PKA: 4.97±0.50(Predicted)
• Flash Point: 189.7°C
• PSA: 27.03000
• Density: 1.083g/cm³
• LogP: 3.64938
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 250.146998583
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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