Cas no 180520-51-8 (3,7,8-trimethyl-5H-pyrido[4,3-b]indole)

3,7,8-trimethyl-5H-pyrido[4,3-b]indole structure
180520-51-8 structure
Product Name:3,7,8-trimethyl-5H-pyrido[4,3-b]indole
CAS No:180520-51-8
MF:C14H14N2
MW:210.274363040924
CID:2728302
PubChem ID:5773925
Update Time:2025-04-21

3,7,8-trimethyl-5H-pyrido[4,3-b]indole Chemical and Physical Properties

Names and Identifiers

    • 3,7,8-trimethyl-5H-pyrido[4,3-b]indole
    • DTXSID40939345
    • 180520-51-8
    • AQ-405/42300279
    • 3,7,8-Trimethyl-5H-pyrido(4,3-b)indole
    • Inchi: 1S/C14H14N2/c1-8-4-11-12-7-15-10(3)6-14(12)16-13(11)5-9(8)2/h4-7,16H,1-3H3
    • InChI Key: REKSRAPDIUFXHQ-UHFFFAOYSA-N
    • SMILES: N1C2C=C(C)N=CC=2C2C=C(C)C(C)=CC1=2

Computed Properties

  • Exact Mass: 210.115698455g/mol
  • Monoisotopic Mass: 210.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 266
  • 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: 3.4
  • Topological Polar Surface Area: 28.7?2
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