Cas no 3333-16-2 (Alpha-benzyl-alpha-phenylhydrocinnamonitrile)

Alpha-benzyl-alpha-phenylhydrocinnamonitrile structure
3333-16-2 structure
Product Name:Alpha-benzyl-alpha-phenylhydrocinnamonitrile
CAS No:3333-16-2
MF:C22H19N
MW:297.392965555191
CID:2856274
PubChem ID:4349671
Update Time:2025-04-21

Alpha-benzyl-alpha-phenylhydrocinnamonitrile Chemical and Physical Properties

Names and Identifiers

    • 3333-16-2
    • AKOS024324943
    • dibenzyl phenyl-acetonitrile
    • Alpha-benzyl-alpha-phenylhydrocinnamonitrile
    • STL371139
    • 2-benzyl-2,3-diphenylpropanenitrile
    • 662-283-2
    • SCHEMBL56267
    • Inchi: 1S/C22H19N/c23-18-22(21-14-8-3-9-15-21,16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-17H2
    • InChI Key: QLGWFVNKFGJFPA-UHFFFAOYSA-N
    • SMILES: N#CC(C1C=CC=CC=1)(CC1C=CC=CC=1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 297.151749610Da
  • Monoisotopic Mass: 297.151749610Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 365
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 23.8?2
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