Cas no 35621-32-0 (11H-Benzo[g]pyrido[3,4-b]indole)

11H-Benzo[g]pyrido[3,4-b]indole structure
35621-32-0 structure
Product Name:11H-Benzo[g]pyrido[3,4-b]indole
CAS No:35621-32-0
MF:C15H10N2
MW:218.253303050995
CID:321659
PubChem ID:147616
Update Time:2025-04-19

11H-Benzo[g]pyrido[3,4-b]indole Chemical and Physical Properties

Names and Identifiers

    • 11H-Benzo[g]pyrido[3,4-b]indole
    • 11H-Benzo(g)pyrido(3,4-b)indole
    • DTXSID30189099
    • 35621-32-0
    • Inchi: 1S/C15H10N2/c1-2-4-11-10(3-1)5-6-13-12-7-8-16-9-14(12)17-15(11)13/h1-9,17H
    • InChI Key: JMZHAVFHANOKBR-UHFFFAOYSA-N
    • SMILES: N1C2C=NC=CC=2C2C=CC3C=CC=CC=3C1=2

Computed Properties

  • Exact Mass: 218.0845
  • Monoisotopic Mass: 218.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 291
  • 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: 4.4
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 1.336
  • Boiling Point: 488.6°Cat760mmHg
  • Flash Point: 229.1°C
  • Refractive Index: 1.839
  • PSA: 28.68
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