Dimethyldioctadecylammonium bromide

C38H80BrNCAS 3700-67-2630.97 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C38H80BrN
Molar mass
630.97 g/mol
Exact mass
629.5474 Da
Melting point
158–159 °C
logP
10.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
34

Hazards

Warning
Irritant (GHS07)

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3700-67-2
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
InChIKey
PSLWZOIUBRXAQW-UHFFFAOYSA-M
InChI
InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, bromide (1:1)
  • Ammonium, dimethyldioctadecyl-, bromide
  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, bromide
  • Dioctadecyldimethylammonium bromide
  • Dioctadecanyldimethylammonium bromide
  • DSDMAB
  • Dimethyldistearylammonium bromide
  • Di-n-octadecyldimethylammonium bromide
  • Distearyldimethylammonium bromide
  • GERBU Adjuvant 10
  • GERBU Adjuvant 100
  • DODAB
  • DODA(Br)
  • DDAB
  • Bis(octadecyl)dimethylammonium bromide
  • Dimethyldioctadecylammomium bromide
  • VSA 3
  • N,N-Distearyl-N,N-dimethylammonium bromide

Work with Dimethyldioctadecylammonium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dimethyldioctadecylammonium chloride107-64-2Salt

Similar compounds

Didecyl dimethyl ammonium bromide2390-68-3100 % similar Didodecyldimethylammonium bromide3282-73-3100 % similar Dihexadecyldimethylammonium bromide70755-47-4100 % similar Cetyldimethylethylammonium bromide124-03-879 % similar Octyldecyldimethylammonium chloride32426-11-274 % similar Dilauryldimethylammonium chloride3401-74-974 % similar Dioctyldimethylammonium chloride5538-94-374 % similar Didecyldimethylammonium chloride7173-51-574 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia