3-{Benzyl[2-(4-chlorophenyl)-2-oxoethyl]amino}propanenitrile

Base Information

• Chemical Name: 3-{Benzyl[2-(4-chlorophenyl)-2-oxoethyl]amino}propanenitrile
• CAS No.: 80896-13-5
• Molecular Formula: C18H17ClN2O
• DSSTox Substance ID: DTXSID60513045
• Wikidata: Q82372591

Synonyms:80896-13-5;SCHEMBL10888540;DTXSID60513045;3-{Benzyl[2-(4-chlorophenyl)-2-oxoethyl]amino}propanenitrile

Chemical Property of 3-{Benzyl[2-(4-chlorophenyl)-2-oxoethyl]amino}propanenitrile

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 312.1029409
• Heavy Atom Count: 22
• Complexity: 389

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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