Cas no 91985-81-8 (3-ethoxy-9H-Pyrido[3,4-b]indole)

3-ethoxy-9H-Pyrido[3,4-b]indole structure
91985-81-8 structure
Product Name:3-ethoxy-9H-Pyrido[3,4-b]indole
CAS No:91985-81-8
MF:C13H12N2O
MW:212.247182846069
CID:807200
PubChem ID:124477
Update Time:2025-04-19

3-ethoxy-9H-Pyrido[3,4-b]indole Chemical and Physical Properties

Names and Identifiers

    • 3-ethoxy-9H-Pyrido[3,4-b]indole
    • 3-ethoxy-beta-carboline
    • CHEMBL299250
    • FNNPSIGQQWCKKB-UHFFFAOYSA-N
    • BDBM50244034
    • BDBM50001475
    • PDSP1_001751
    • CHEMBL498936
    • PDSP2_001734
    • PD181372
    • SCHEMBL9531510
    • 9H-Pyrido(3,4-b)indole, 3-ethoxy-
    • DTXSID10919417
    • 3-Ethoxy-9H-beta-carboline(3-EBC)
    • 91985-81-8
    • 3-Ethoxy-9H-beta-carboline
    • Inchi: 1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3
    • InChI Key: FNNPSIGQQWCKKB-UHFFFAOYSA-N
    • SMILES: O(CC)C1=CC2=C(C=N1)NC1C=CC=CC2=1

Computed Properties

  • Exact Mass: 212.094963011g/mol
  • Monoisotopic Mass: 212.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 246
  • 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: 3.8
  • Topological Polar Surface Area: 37.9?2
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