Cas no 67484-39-3 (7-hydroxyellipticine)

7-hydroxyellipticine structure
7-hydroxyellipticine structure
Product Name:7-hydroxyellipticine
CAS No:67484-39-3
MF:C17H14N2O
MW:262.305863857269
CID:966113
PubChem ID:125663
Update Time:2025-04-19

7-hydroxyellipticine Chemical and Physical Properties

Names and Identifiers

    • 7-hydroxyellipticine
    • 6H-Pyrido(4,3-b)carbazol-7-ol, 5,11-dimethyl-
    • 6H-pyrido[4,3-b]carbazol-7-ol, 5,11-dimethyl-
    • DTXSID90986864
    • 67484-39-3
    • 5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-7-ol
    • CHEMBL32223
    • Inchi: 1S/C17H14N2O/c1-9-13-8-18-7-6-11(13)10(2)16-15(9)12-4-3-5-14(20)17(12)19-16/h3-8,19-20H,1-2H3
    • InChI Key: LMKVVMVYEHURBO-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC2=C1NC1C(C)=C3C=CN=CC3=C(C)C=12

Computed Properties

  • Exact Mass: 262.11072
  • Monoisotopic Mass: 262.110613
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 374
  • 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: 48.9

Experimental Properties

  • Density: 1.349
  • Boiling Point: 557.7°C at 760 mmHg
  • Flash Point: 291.1°C
  • Refractive Index: 1.81
  • PSA: 48.91
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