Cas no 31965-08-9 (5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl-)

5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl- structure
31965-08-9 structure
Product Name:5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl-
CAS No:31965-08-9
MF:C14H16N2O
MW:228.289643287659
CID:314115
PubChem ID:208299
Update Time:2025-04-19

5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 5H-Pyrido[3,4-b]indole,8,9-dihydro-6-methoxy-1,9-dimethyl-
    • 6-methoxy-1,9-dimethyl-5,8-dihydropyrido[3,4-b]indole
    • DTXSID90185794
    • BRN 0659716
    • 31965-08-9
    • 5H-Pyrido(3,4-b)indole, 8,9-dihydro-1,9-dimethyl-6-methoxy-
    • 5,8-Dihydro-6-methoxy-9-methylharman
    • 5-23-12-00149 (Beilstein Handbook Reference)
    • 8,9-Dihydro-1,9-dimethyl-6-methoxy-5H-pyrido(3,4-b)indole
    • Inchi: 1S/C14H16N2O/c1-9-14-11(6-7-15-9)12-8-10(17-3)4-5-13(12)16(14)2/h4,6-7H,5,8H2,1-3H3
    • InChI Key: CPANUUSZWDRNHZ-UHFFFAOYSA-N
    • SMILES: O(C)C1=CCC2=C(C1)C1C=CN=C(C)C=1N2C

Computed Properties

  • Exact Mass: 228.12638
  • Monoisotopic Mass: 228.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 328
  • 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: 2.1
  • Topological Polar Surface Area: 27?2

Experimental Properties

  • PSA: 27.05
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