Cas no 45806-95-9 (n-butylpyridinium)

n-butylpyridinium structure
n-butylpyridinium structure
Product Name:n-butylpyridinium
CAS No:45806-95-9
MF:C9H14N
MW:136.214162349701
CID:930037
PubChem ID:193832
Update Time:2025-04-19

n-butylpyridinium Chemical and Physical Properties

Names and Identifiers

    • n-butylpyridinium
    • Pyridinium, 1-butyl-
    • REACWASHYHDPSQ-UHFFFAOYSA-
    • SCHEMBL14007039
    • 1-butylpyridinium
    • N-butylpyridinium cation
    • UNII-D4EK02EZ82
    • NCGC00248728-01
    • SCHEMBL34882
    • NCGC00248728-02
    • Q27894370
    • CHEMBL443525
    • REACWASHYHDPSQ-UHFFFAOYSA-N
    • BDBM50143296
    • InChI=1/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1
    • D4EK02EZ82
    • DTXSID5048005
    • 1-Butyl-pyridinium
    • 45806-95-9
    • NS00003379
    • Inchi: 1S/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1
    • InChI Key: REACWASHYHDPSQ-UHFFFAOYSA-N
    • SMILES: [N+]1(C=CC=CC=1)CCCC

Computed Properties

  • Exact Mass: 136.112624451g/mol
  • Monoisotopic Mass: 136.112624451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 74.8
  • 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: 2.2
  • Topological Polar Surface Area: 3.9?2
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