Caprylyltrimethylammonium chloride

C11H26ClNCAS 10108-86-8207.79 g/mol

Open in Covalent MOL file
N+Cl−
Quaternary ammonium

Properties

Molecular formula
C11H26ClN
Molar mass
207.79 g/mol
Exact mass
207.1754 Da
logP
0.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
10108-86-8
SMILES
CCCCCCCC[N+](C)(C)C.[Cl-]
InChIKey
AQZSPJRLCJSOED-UHFFFAOYSA-M
InChI
InChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

1 names
  • Octyltrimethylammonium chloride

Work with Caprylyltrimethylammonium 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.

Octyltrimethylammonium bromide2083-68-3Salt

Similar compounds

Decyltrimethylammonium chloride10108-87-9100 % similar Dodecyltrimethylammonium chloride112-00-5100 % similar Cetrimonium chloride112-02-7100 % similar Stearyltrimethylammonium chloride112-03-8100 % similar Tetradecyltrimethylammonium chloride4574-04-3100 % similar Dodecyltrimethylammonium bromide1119-94-474 % similar Tetradecyltrimethylammonium bromide1119-97-774 % similar Octadecyltrimethylammonium bromide1120-02-174 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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