Cas no 29920-02-3 (1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide)

1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide structure
29920-02-3 structure
Product Name:1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide
CAS No:29920-02-3
MF:C37H78BrN
MW:616.925931453705
CID:1443641
PubChem ID:15066124
Update Time:2025-04-20

1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide Chemical and Physical Properties

Names and Identifiers

    • 1-Dodecanaminium, N,N-didodecyl-N-methyl-, bromide
    • Tridodecyl Methyl Ammonium Bromide
    • tridodecyl(methyl)azanium,bromide
    • 29920-02-3
    • DA-17499
    • tridodecyl(methyl)azanium;bromide
    • DTXSID60567760
    • Methyltridodecylammonium Bromide
    • N,N-Didodecyl-N-methyldodecan-1-aminium bromide
    • SCHEMBL853784
    • Inchi: 1S/C37H78N.BrH/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;/h5-37H2,1-4H3;1H/q+1;/p-1
    • InChI Key: XDUVTZGINNGNAG-UHFFFAOYSA-M
    • SMILES: [Br-].[N+](C)(CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 536.9214
  • Monoisotopic Mass: 615.53176g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 33
  • Complexity: 357
  • 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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