chempirical

Didodecyldimethylammonium bromide

C26H56BrNCAS 3282-73-3462.65 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C26H56BrN
Molar mass
462.65 g/mol
Exact mass
461.3596 Da
Melting point
54–55 °C
logP
5.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
22

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
3282-73-3
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Br-]
InChIKey
XRWMGCFJVKDVMD-UHFFFAOYSA-M
InChI
InChI=1S/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

12 names
  • 1-Dodecanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1)
  • Ammonium, didodecyldimethyl-, bromide
  • 1-Dodecanaminium, N-dodecyl-N,N-dimethyl-, bromide
  • Dilauryldimethylammonium bromide
  • Dimethyldidodecylammonium bromide
  • Bis(dodecyl)dimethylammonium bromide
  • Dimethyldilaurylammonium bromide
  • Di-n-dodecyldimethylammonium bromide
  • Bis(n-dodecyl)dimethylammonium bromide
  • DDAB
  • DMAB
  • DDDMA

Work with Didodecyldimethylammonium 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.

Dilauryldimethylammonium chloride3401-74-9Salt

Similar compounds

Didecyl dimethyl ammonium bromide2390-68-3100 % similar Dimethyldioctadecylammonium bromide3700-67-2100 % similar Dihexadecyldimethylammonium bromide70755-47-4100 % similar Cetyldimethylethylammonium bromide124-03-879 % similar Dimethyldioctadecylammonium chloride107-64-274 % similar Octyldecyldimethylammonium chloride32426-11-274 % 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