Dilauryldimethylammonium chloride

C26H56ClNCAS 3401-74-9418.19 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C26H56ClN
Molar mass
418.19 g/mol
Exact mass
417.4101 Da
Melting point
175 °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 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
3401-74-9
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-]
InChIKey
WLCFKPHMRNPAFZ-UHFFFAOYSA-M
InChI
InChI=1S/C26H56N.ClH/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-, chloride (1:1)
  • Ammonium, didodecyldimethyl-, chloride
  • 1-Dodecanaminium, N-dodecyl-N,N-dimethyl-, chloride
  • Didodecyldimethylammonium chloride
  • Dimethyldilaurylammonium chloride
  • Isothan DL
  • Aliquat 204
  • Isothan DL 1
  • Dimethyldidodecylammonium chloride
  • Quaternium 47
  • AQ 212
  • Quartamin D 24E

Work with Dilauryldimethylammonium chloride

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.

Didodecyldimethylammonium bromide3282-73-3Salt

Similar compounds

Dimethyldioctadecylammonium chloride107-64-2100 % similar Octyldecyldimethylammonium chloride32426-11-2100 % similar Dioctyldimethylammonium chloride5538-94-3100 % similar Didecyldimethylammonium chloride7173-51-5100 % similar Mepiquat chloride24307-26-475 % similar Didecyl dimethyl ammonium bromide2390-68-374 % similar Dimethyldioctadecylammonium bromide3700-67-274 % similar Dihexadecyldimethylammonium bromide70755-47-474 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook