Cas no 32582-80-2 (1,4-Butanediamine, N-octadecyl-)

1,4-Butanediamine, N-octadecyl- structure
32582-80-2 structure
Product Name:1,4-Butanediamine, N-octadecyl-
CAS No:32582-80-2
MF:C22H48N2
MW:340.629926681519
CID:1451331
PubChem ID:15610200
Update Time:2025-04-20

1,4-Butanediamine, N-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butanediamine, N-octadecyl-
    • N'-octadecylbutane-1,4-diamine
    • 32582-80-2
    • SCHEMBL449150
    • DTXSID70575710
    • N~1~-Octadecylbutane-1,4-diamine
    • Inchi: 1S/C22H48N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23/h24H,2-23H2,1H3
    • InChI Key: KPEBVBYZPUKUFB-UHFFFAOYSA-N
    • SMILES: N(CCCCN)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 340.38204
  • Monoisotopic Mass: 340.381749540g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 21
  • Complexity: 206
  • 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: 8.8
  • Topological Polar Surface Area: 38?2

Experimental Properties

  • PSA: 38.05
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