Cas no 127833-44-7 (Octacosanenitrile)

Octacosanenitrile structure
Octacosanenitrile structure
Product Name:Octacosanenitrile
CAS No:127833-44-7
MF:C28H55N
MW:405.743008852005
CID:230958
PubChem ID:182873
Update Time:2025-04-19

Octacosanenitrile Chemical and Physical Properties

Names and Identifiers

    • Octacosanenitrile
    • DTXSID70155677
    • 127833-44-7
    • Inchi: 1S/C28H55N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h2-27H2,1H3
    • InChI Key: VPYLCZCBHYWZGZ-UHFFFAOYSA-N
    • SMILES: N#CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 405.43375
  • Monoisotopic Mass: 405.433450759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 25
  • Complexity: 327
  • 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: 13.4
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79
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