Didecyl dimethyl ammonium bromide

C22H48BrNCAS 2390-68-3406.54 g/mol

Open in Covalent MOL file
N+Br−
Quaternary ammonium

Properties

Molecular formula
C22H48BrN
Molar mass
406.54 g/mol
Exact mass
405.2970 Da
Melting point
70–74 °C
logP
4.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
18

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
2390-68-3
SMILES
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
InChIKey
UMGXUWVIJIQANV-UHFFFAOYSA-M
InChI
InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

9 names
  • 1-Decanaminium, N-decyl-N,N-dimethyl-, bromide (1:1)
  • Ammonium, didecyldimethyl-, bromide
  • 1-Decanaminium, N-decyl-N,N-dimethyl-, bromide
  • Deciquam
  • DDAB
  • Deciquam 222
  • Bromosept
  • N-Decyl-N,N-dimethyldecan-1-aminium bromide
  • Bestaquam-S

Work with Didecyl dimethyl ammonium 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.

Didecyldimethylammonium chloride7173-51-5Salt

Similar compounds

Didodecyldimethylammonium bromide3282-73-3100 % 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 Dilauryldimethylammonium chloride3401-74-974 % similar Dioctyldimethylammonium chloride5538-94-374 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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