Cas no 6624-48-2 (N-hydroxy-3-nitroso-2H-inden-1-amine)

N-hydroxy-3-nitroso-2H-inden-1-amine structure
6624-48-2 structure
Product Name:N-hydroxy-3-nitroso-2H-inden-1-amine
CAS No:6624-48-2
MF:C9H8N2O2
MW:176.172021865845
CID:1706193
PubChem ID:135408612
Update Time:2025-04-21

N-hydroxy-3-nitroso-2H-inden-1-amine Chemical and Physical Properties

Names and Identifiers

    • N-hydroxy-3-nitroso-2H-inden-1-amine
    • Rasagiline Impurity 11
    • NSC-53384
    • NSC53384
    • 6624-48-2
    • Inchi: 1S/C9H8N2O2/c12-10-8-5-9(11-13)7-4-2-1-3-6(7)8/h1-4,12-13H,5H2/b10-8-,11-9+
    • InChI Key: VPQPJUDANCCIRW-PNQPDEHRSA-N
    • SMILES: O/N=C1/C/C(/C2C=CC=CC=2/1)=N\O

Computed Properties

  • Exact Mass: 176.05864
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 234
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 65.2?2

Experimental Properties

  • PSA: 61.69
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