Cas no 477719-02-1 (1-Phenyl-N-(pyrimidin-2-yl)ethan-1-imine)

1-Phenyl-N-(pyrimidin-2-yl)ethan-1-imine structure
477719-02-1 structure
Product Name:1-Phenyl-N-(pyrimidin-2-yl)ethan-1-imine
CAS No:477719-02-1
MF:C12H11N3
MW:197.235841989517
CID:2828590
PubChem ID:71362876
Update Time:2025-04-21

1-Phenyl-N-(pyrimidin-2-yl)ethan-1-imine Chemical and Physical Properties

Names and Identifiers

    • 477719-02-1
    • 1-Phenyl-N-(pyrimidin-2-yl)ethan-1-imine
    • DTXSID80786476
    • Inchi: 1S/C12H11N3/c1-10(11-6-3-2-4-7-11)15-12-13-8-5-9-14-12/h2-9H,1H3
    • InChI Key: HQRHUKRDRQBOEZ-UHFFFAOYSA-N
    • SMILES: N(C1N=CC=CN=1)=C(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 197.095297364Da
  • Monoisotopic Mass: 197.095297364Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 213
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.1
  • Topological Polar Surface Area: 38.1?2
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