Cas no 80401-50-9 (2-Undecylpyridine)

2-Undecylpyridine structure
2-Undecylpyridine structure
Product Name:2-Undecylpyridine
CAS No:80401-50-9
MF:C16H27N
MW:233.392284631729
CID:985583
PubChem ID:564640
Update Time:2025-04-20

2-Undecylpyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Undecylpyridine
    • 2-n-undecylpyridine
    • 2-Undecylpyridin
    • 2-undecyl-pyridine
    • Pyridine,2-undecyl
    • undecyl-2 pyridine
    • 2-Undecylpyridine #
    • 80401-50-9
    • SCHEMBL920310
    • DTXSID30340426
    • Pyridine, 2-undecyl-
    • Inchi: 1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-16/h11-12,14-15H,2-10,13H2,1H3
    • InChI Key: XECXIPYCNRARGM-UHFFFAOYSA-N
    • SMILES: N1C=CC=CC=1CCCCCCCCCCC

Computed Properties

  • Exact Mass: 233.21400
  • Monoisotopic Mass: 233.214349865g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 10
  • Complexity: 156
  • 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: 6.1
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89000
  • LogP: 5.15490
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