Cas no 194223-25-1 (N-Butyl-N-methyl-N-octadecyloctadecan-1-aminium chloride)

N-Butyl-N-methyl-N-octadecyloctadecan-1-aminium chloride structure
194223-25-1 structure
Product Name:N-Butyl-N-methyl-N-octadecyloctadecan-1-aminium chloride
CAS No:194223-25-1
MF:C41H86ClN
MW:628.581252574921
CID:2788409
Update Time:2023-08-07

N-Butyl-N-methyl-N-octadecyloctadecan-1-aminium chloride Chemical and Physical Properties

Names and Identifiers

    • N-Butyl-N-methyl-N-octadecyloctadecan-1-aminium chloride
    • Inchi: 1S/C41H86N.ClH/c1-5-8-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-42(4,39-10-7-3)41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-9-6-2;/h5-41H2,1-4H3;1H/q+1;/p-1
    • InChI Key: BNWFRDOTRVULPK-UHFFFAOYSA-M
    • SMILES: [Cl-].[N+](C)(CCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 37
  • Complexity: 436
  • Topological Polar Surface Area: 0
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