Cas no 74317-46-7 (1-methyl-3-nitroso-5H-pyrido[4,3-b]indole)

1-methyl-3-nitroso-5H-pyrido[4,3-b]indole structure
74317-46-7 structure
Product Name:1-methyl-3-nitroso-5H-pyrido[4,3-b]indole
CAS No:74317-46-7
MF:C12H9N3O
MW:211.219362020493
CID:1767062
PubChem ID:5487755
Update Time:2025-04-21

1-methyl-3-nitroso-5H-pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-3-nitroso-5H-pyrido[4,3-b]indole
    • 3-nitroso-1-methyl-5h-pyrido[4,3-b]indole
    • 1-Methyl-3-nitroso-5H-pyrido(4,3-b)indole
    • 5H-Pyrido(4,3-b)indole, 1-methyl-3-nitroso-
    • 74317-46-7
    • Trp-P-2 nitroso derivative
    • 3-Nitroso-1-methyl-5H-pyrido(4,3-b)indole
    • DTXSID80225330
    • Inchi: 1S/C12H9N3O/c1-7-12-8-4-2-3-5-9(8)14-10(12)6-11(13-7)15-16/h2-6,14H,1H3
    • InChI Key: JABBZWZOVYNGAJ-UHFFFAOYSA-N
    • SMILES: O=NC1=CC2=C(C(C)=N1)C1C=CC=CC=1N2

Computed Properties

  • Exact Mass: 211.074561919g/mol
  • Monoisotopic Mass: 211.074561919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 283
  • 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: 2
  • Topological Polar Surface Area: 58.1?2

Experimental Properties

  • Density: 1.4
  • Boiling Point: 470.2°C at 760 mmHg
  • Flash Point: 238.2°C
  • Refractive Index: 1.727
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