Trioctylmethylammonium chloride

C₂₅H₅₄ClNCAS 5137-55-3404.16 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₂₅H₅₄ClN
Molar mass: 404.16 g/mol
Exact mass: 403.3945 Da
Density: 0.884 g/mL (at 25 °C)
logP: 5.52Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 21

Identifiers

CAS number

5137-55-3

SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]

InChIKey

XKBGEWXEAPTVCK-UHFFFAOYSA-M

InChI

InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

16 names · show all

1-Octanaminium, N-methyl-N,N-dioctyl-, chloride (1:1)
Methyltrioctylammonium chloride
Ammonium, methyltrioctyl-, chloride
1-Octanaminium, N-methyl-N,N-dioctyl-, chloride
Tricaprylmethylammonium chloride
Trioctylmonomethylammonium chloride
Capriquat
Tri-n-octylmethylammonium chloride
TOMAC
Methyltricaprylammonium chloride
TOMAC 75
Aliquat 128
N-Methyl-N,N,N-trioctylammonium chloride
Methyltri-n-octylammonium chloride
A 336
A 336 (Catalyst)

Work with Trioctylmethylammonium 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

Similar compounds

Tridodecylmethylammonium chloride7173-54-8100 % similar Methyltributylammonium chloride56375-79-281 % similar Caprylyltrimethylammonium chloride10108-86-867 % similar Decyltrimethylammonium chloride10108-87-967 % similar Dimethyldioctadecylammonium chloride107-64-267 % similar Dodecyltrimethylammonium chloride112-00-567 % similar Cetrimonium chloride112-02-767 % similar Stearyltrimethylammonium chloride112-03-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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