Cas no 82880-43-1 (Benzenamine, 3-methyl-N-nitroso-N-phenyl-)

Benzenamine, 3-methyl-N-nitroso-N-phenyl- structure
82880-43-1 structure
Product Name:Benzenamine, 3-methyl-N-nitroso-N-phenyl-
CAS No:82880-43-1
MF:C13H12N2O
MW:212.247182846069
CID:681154
PubChem ID:12835569
Update Time:2025-04-19

Benzenamine, 3-methyl-N-nitroso-N-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 3-methyl-N-nitroso-N-phenyl-
    • N-(3-methylphenyl)-N-phenylnitrous amide
    • 82880-43-1
    • DTXSID10511071
    • Inchi: 1S/C13H12N2O/c1-11-6-5-9-13(10-11)15(14-16)12-7-3-2-4-8-12/h2-10H,1H3
    • InChI Key: VUXJNVQXNSVIKC-UHFFFAOYSA-N
    • SMILES: O=NN(C1C=CC=CC=1)C1=CC=CC(C)=C1

Computed Properties

  • Exact Mass: 212.094963011g/mol
  • Monoisotopic Mass: 212.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 226
  • 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: 4.1
  • Topological Polar Surface Area: 32.7?2
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