Cas no 22202-50-2 (Pyridine, 4-tridecyl-,1-oxide)

Pyridine, 4-tridecyl-,1-oxide structure
Pyridine, 4-tridecyl-,1-oxide structure
Product Name:Pyridine, 4-tridecyl-,1-oxide
CAS No:22202-50-2
MF:C18H31NO
MW:277.444845438004
CID:275092
PubChem ID:31038
Update Time:2025-04-19

Pyridine, 4-tridecyl-,1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 4-tridecyl-,1-oxide
    • 4-Tridecylpyridine 1-oxide
    • 4-TRIDECYLPYRIDINE-N-OXIDE
    • 22202-50-2
    • Pyridine, 4-tridecyl-, 1-oxide
    • 8K6KT5H8IN
    • UNII-8K6KT5H8IN
    • Inchi: 1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(20)17-15-18/h14-17H,2-13H2,1H3
    • InChI Key: JGUZOCJCNMVJHU-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=CC(=CC=1)CCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 277.24073
  • Monoisotopic Mass: 277.240564612g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 12
  • Complexity: 200
  • 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: 6.6
  • Topological Polar Surface Area: 25.5?2

Experimental Properties

  • PSA: 26.94
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