Cetrimonium bromide | SBID = 1587 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 4
PubChem TPSA/Å2: 0.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C19H42BrN
M / g/mol: 364.4
Complexity: 181.0
Number of Conformers: 0.0

Identifiers

  • Tags: typical guest, charged
  • Name: Cetrimonium bromide
  • Preferred Abbreviation: Cetrimonium bromide
  • IUPAC Name: hexadecyl(trimethyl)azanium;bromide
  • CAS: 57-09-0
  • CID: 5974
  • InChiKey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
  • InChi: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
  • CanoSmiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
  • IsoSmiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]