Cas no 1144040-02-7 (3,5-dimethyl-5H-Pyrido[4,3-b]indole)

3,5-dimethyl-5H-Pyrido[4,3-b]indole structure
1144040-02-7 structure
Product Name:3,5-dimethyl-5H-Pyrido[4,3-b]indole
CAS No:1144040-02-7
MF:C13H12N2
MW:196.247782707214
CID:1099700
PubChem ID:42598518
Update Time:2025-04-20

3,5-dimethyl-5H-Pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 3,5-dimethyl-5H-Pyrido[4,3-b]indole
    • 1144040-02-7
    • SCHEMBL13100683
    • DB-356673
    • Inchi: 1S/C13H12N2/c1-9-7-13-11(8-14-9)10-5-3-4-6-12(10)15(13)2/h3-8H,1-2H3
    • InChI Key: FZWYZXXWVCTTRF-UHFFFAOYSA-N
    • SMILES: N1(C)C2C=CC=CC=2C2C=NC(C)=CC1=2

Computed Properties

  • Exact Mass: 196.100048391g/mol
  • Monoisotopic Mass: 196.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 241
  • 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: 2.7
  • Topological Polar Surface Area: 17.8?2
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