Cas no 56259-08-6 (6-Dodecylquinoline)

6-Dodecylquinoline structure
6-Dodecylquinoline structure
Product Name:6-Dodecylquinoline
CAS No:56259-08-6
MF:C21H31N
MW:297.477545976639
CID:2187926
Update Time:2023-08-05

6-Dodecylquinoline Chemical and Physical Properties

Names and Identifiers

    • 6-Dodecylquinoline
    • Quinoline, 6-dodecyl-
    • 6-Dodecylquinoline #
    • OJFCWCHKPWGHTR-UHFFFAOYSA-N
    • Inchi: 1S/C21H31N/c1-2-3-4-5-6-7-8-9-10-11-13-19-15-16-21-20(18-19)14-12-17-22-21/h12,14-18H,2-11,13H2,1H3
    • InChI Key: OJFCWCHKPWGHTR-UHFFFAOYSA-N
    • SMILES: N1C=CC=C2C=1C=CC(=C2)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 297.246
  • Monoisotopic Mass: 297.246
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 11
  • Complexity: 263
  • 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: 8.4
  • Topological Polar Surface Area: 12.9
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