Cas no 73480-88-3 (Isoquinoline, 1,3,7-trimethyl-)

Isoquinoline, 1,3,7-trimethyl- structure
73480-88-3 structure
Product Name:Isoquinoline, 1,3,7-trimethyl-
CAS No:73480-88-3
MF:C12H13N
MW:171.238322973251
CID:542396
PubChem ID:13046099
Update Time:2025-04-19

Isoquinoline, 1,3,7-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 1,3,7-trimethyl-
    • 1,3,7-trimethylisoquinoline
    • 73480-88-3
    • DTXSID20516239
    • SCHEMBL12258271
    • Inchi: 1S/C12H13N/c1-8-4-5-11-7-9(2)13-10(3)12(11)6-8/h4-7H,1-3H3
    • InChI Key: GWHAQUUUZHTFPR-UHFFFAOYSA-N
    • SMILES: N1C(C)=CC2C=CC(C)=CC=2C=1C

Computed Properties

  • Exact Mass: 171.104799419g/mol
  • Monoisotopic Mass: 171.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 178
  • 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: 3.3
  • Topological Polar Surface Area: 12.9?2
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