Cas no 61854-84-0 (1-Naphthalenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl-)

1-Naphthalenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl- structure
61854-84-0 structure
Product Name:1-Naphthalenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl-
CAS No:61854-84-0
MF:C19H16N4S
MW:332.422142028809
CID:464577
PubChem ID:71391683
Update Time:2025-04-19

1-Naphthalenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenamine, 4-[(4-isothiocyanatophenyl)azo]-N,N-dimethyl-
    • 4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
    • DTXSID20813513
    • 4-[(E)-(4-Isothiocyanatophenyl)diazenyl]-N,N-dimethylnaphthalen-1-amine
    • 61854-84-0
    • Inchi: 1S/C19H16N4S/c1-23(2)19-12-11-18(16-5-3-4-6-17(16)19)22-21-15-9-7-14(8-10-15)20-13-24/h3-12H,1-2H3/b22-21+
    • InChI Key: QYEKYNZXNJMXBY-QURGRASLSA-N
    • SMILES: S=C=NC1C=CC(=CC=1)/N=N/C1C=CC(=C2C=CC=CC2=1)N(C)C

Computed Properties

  • Exact Mass: 332.10978
  • Monoisotopic Mass: 332.10956770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 478
  • 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: 6.5
  • Topological Polar Surface Area: 72.4?2

Experimental Properties

  • PSA: 40.32
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