Dodecyltrimethylammonium bromide

C₁₅H₃₄BrNCAS 1119-94-4308.35 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₅H₃₄BrN
Molar mass: 308.35 g/mol
Exact mass: 307.1875 Da
Melting point: 228–230 °C
logP: 1.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 11

Hazards

Danger

H301 Toxic if swallowed20.2% of notifiers
H302 Harmful if swallowed53.9% of notifiers
H315 Causes skin irritation96.6% of notifiers
H317 May cause an allergic skin reaction23.6% of notifiers
H319 Causes serious eye irritation96.6% of notifiers
H335 May cause respiratory irritation62.9% of notifiers
H400 Very toxic to aquatic life69.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.3% of notifiers

Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1119-94-4

SMILES

CCCCCCCCCCCC[N+](C)(C)C.[Br-]

InChIKey

XJWSAJYUBXQQDR-UHFFFAOYSA-M

InChI

InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

21 names · show all

1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1)
Ammonium, dodecyltrimethyl-, bromide
1-Dodecanaminium, N,N,N-trimethyl-, bromide
n-Dodecyltrimethylammonium bromide
Lauryltrimethylammonium bromide
Morpan D
Trimethyldodecylammonium bromide
Trimethyllaurylammonium bromide
N,N,N-Trimethyl-1-dodecanaminium bromide
N-Lauryl-N,N,N-trimethylammonium bromide
Dctab
DTAB
DTAB (surfactant)
FSM 23
N,N,N-Trimethyldodecan-1-ammonium bromide
LTAB
N-Dodecyl-N,N,N-trimethylammonium bromide
DDTMA
C 12TAB
C12TAB
Laurtrimonium bromide

Work with Dodecyltrimethylammonium 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.

Dodecyltrimethylammonium chloride112-00-5Salt

Similar compounds

Tetradecyltrimethylammonium bromide1119-97-7100 % similar Octadecyltrimethylammonium bromide1120-02-1100 % similar Decyltrimethylammonium bromide2082-84-0100 % similar Octyltrimethylammonium bromide2083-68-3100 % similar Cetrimonium bromide57-09-0100 % similar Decamethonium bromide541-22-075 % similar Hexamethonium bromide55-97-075 % similar Caprylyltrimethylammonium chloride10108-86-874 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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