Cas no 5246-34-4 (Benzenesulfonic acid, 4-[2-[4-[[2-(diethylamino)ethyl]amino]-7-methoxy-1-naphthalenyl]diazenyl]-)

Benzenesulfonic acid, 4-[2-[4-[[2-(diethylamino)ethyl]amino]-7-methoxy-1-naphthalenyl]diazenyl]- structure
5246-34-4 structure
Product Name:Benzenesulfonic acid, 4-[2-[4-[[2-(diethylamino)ethyl]amino]-7-methoxy-1-naphthalenyl]diazenyl]-
CAS No:5246-34-4
MF:C16H14N2O3
MW:282.293963909149
CID:385938
PubChem ID:790379
Update Time:2025-04-19

Benzenesulfonic acid, 4-[2-[4-[[2-(diethylamino)ethyl]amino]-7-methoxy-1-naphthalenyl]diazenyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 4-[2-[4-[[2-(diethylamino)ethyl]amino]-7-methoxy-1-naphthalenyl]diazenyl]-
    • (2E)-N-(4-Methylphenyl)-3-(4-nitrophenyl)acrylamide
    • 2-propenamide, N-(4-methylphenyl)-3-(4-nitrophenyl)-, (2E)-
    • 5246-34-4
    • SR-01000200743-1
    • 4-METHYL-(4'-NITRO)CINNAMANILIDE
    • AB00076618-01
    • AKOS003245453
    • SR-01000200743
    • CHEMBL2251550
    • Inchi: 1S/C16H14N2O3/c1-12-2-7-14(8-3-12)17-16(19)11-6-13-4-9-15(10-5-13)18(20)21/h2-11H,1H3,(H,17,19)/b11-6+
    • InChI Key: URTZKYQLKQHAFO-IZZDOVSWSA-N
    • SMILES: O=C(/C=C/C1C=CC(=CC=1)[N+](=O)[O-])NC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 282.10052
  • Monoisotopic Mass: 282.100442
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 387
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 74.9

Experimental Properties

  • Density: 1.286
  • Boiling Point: 491.6°Cat760mmHg
  • Flash Point: 251.1°C
  • Refractive Index: 1.677
  • PSA: 72.24
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