Cas no 38618-37-0 (1-Octadecanaminium, N,N-diethyl-N-octadecyl-, chloride)

1-Octadecanaminium, N,N-diethyl-N-octadecyl-, chloride structure
38618-37-0 structure
Product Name:1-Octadecanaminium, N,N-diethyl-N-octadecyl-, chloride
CAS No:38618-37-0
MF:C40H84ClN
MW:614.554672241211
CID:1490253
PubChem ID:14009109
Update Time:2025-04-21

1-Octadecanaminium, N,N-diethyl-N-octadecyl-, chloride Chemical and Physical Properties

Names and Identifiers

    • 1-Octadecanaminium, N,N-diethyl-N-octadecyl-, chloride
    • diethyl(dioctadecyl)azanium,chloride
    • DTXSID90554249
    • SCHEMBL2933852
    • 38618-37-0
    • N,N-Diethyl-N-octadecyloctadecan-1-aminium chloride
    • dioctadecyldi-ethylammonium chloride
    • Inchi: 1S/C40H84N.ClH/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41(7-3,8-4)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;/h5-40H2,1-4H3;1H/q+1;/p-1
    • InChI Key: AQUCOCCZWYJKFZ-UHFFFAOYSA-M
    • SMILES: [Cl-].[N+](CC)(CC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 528.972
  • Monoisotopic Mass: 613.6292294g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 36
  • Complexity: 416
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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