Cas no 31067-22-8 (1,4-Benzenediamine, N-(2-nitrophenyl)-)

1,4-Benzenediamine, N-(2-nitrophenyl)- structure
31067-22-8 structure
Product Name:1,4-Benzenediamine, N-(2-nitrophenyl)-
CAS No:31067-22-8
MF:C12H11N3O2
MW:229.234642267227
CID:291780
PubChem ID:18522089
Update Time:2025-04-19

1,4-Benzenediamine, N-(2-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N-(2-nitrophenyl)-
    • 4-N-(2-nitrophenyl)benzene-1,4-diamine
    • N~1~-(2-Nitrophenyl)benzene-1,4-diamine
    • AKOS000194632
    • SCHEMBL7171202
    • DTXSID50594409
    • 2-Nitro-N-(4-aminophenyl)aniline
    • 31067-22-8
    • PABVMKMWZAGWIU-UHFFFAOYSA-N
    • Inchi: 1S/C12H11N3O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H,13H2
    • InChI Key: PABVMKMWZAGWIU-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1NC1C=CC(=CC=1)N)=O

Computed Properties

  • Exact Mass: 229.085126602g/mol
  • Monoisotopic Mass: 229.085126602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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: 3
  • Topological Polar Surface Area: 83.9?2
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