Cas no 46122-12-7 (1-Hexylpyridinium)

1-Hexylpyridinium structure
1-Hexylpyridinium structure
Product Name:1-Hexylpyridinium
CAS No:46122-12-7
MF:C11H18N
MW:164.26732301712
CID:2639502
PubChem ID:2734173
Update Time:2025-04-21

1-Hexylpyridinium Chemical and Physical Properties

Names and Identifiers

    • LND9U4X7XT
    • 1-hexylpyridin-1-ium
    • 1-hexylpyridinium
    • CHEMBL1195735
    • DTXSID6048098
    • 46122-12-7
    • n-hexylpyridinium
    • SCHEMBL16351389
    • A833639
    • NCGC00248729-01
    • SCHEMBL572816
    • Pyridinium, 1-hexyl-
    • DTXCID7028069
    • NCGC00248729-02
    • 1-Hexylpyridinium
    • Inchi: 1S/C11H18N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3/q+1
    • InChI Key: AMKUSFIBHAUBIJ-UHFFFAOYSA-N
    • SMILES: [N+]1(C=CC=CC=1)CCCCCC

Computed Properties

  • Exact Mass: 164.143924578g/mol
  • Monoisotopic Mass: 164.143924578g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 95.2
  • 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: 3.9?2
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