Tetradecyltrimethylammonium bromide

C₁₇H₃₈BrNCAS 1119-97-7336.40 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₇H₃₈BrN
Molar mass: 336.40 g/mol
Exact mass: 335.2188 Da
Density: 1 g/mL
Melting point: 247.5 °C
logP: 2.40Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 13

Hazards

Danger

H302 Harmful if swallowed25.4% of notifiers
H314 Causes severe skin burns and eye damage10.7% of notifiers
H315 Causes skin irritation21.9% of notifiers
H318 Causes serious eye damage89.7% of notifiers
H335 May cause respiratory irritation21.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure18.2% of notifiers
H400 Very toxic to aquatic life22.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects12.2% of notifiers

Aggregated from 698 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

1119-97-7

SMILES

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

InChIKey

CXRFDZFCGOPDTD-UHFFFAOYSA-M

InChI

InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

24 names · show all

1-Tetradecanaminium, N,N,N-trimethyl-, bromide (1:1)
Ammonium, trimethyltetradecyl-, bromide
Trimethyltetradecylammonium bromide
1-Tetradecanaminium, N,N,N-trimethyl-, bromide
Morpan T
Tetradonium bromide
Mytab
Myristyltrimethylammonium bromide
Trimethylmyristylammonium bromide
N,N,N-Trimethyl-1-tetradecanaminium bromide
Quaternium 13
n-Tetradecyltrimethylammonium bromide
MTAB
Querton 14br40
TTAB
TTAB (surfactant)
Pentonium 4br40
Microcide II
Myrtrimonium bromide
Cetrimide BP
N-Tetradecyl-N,N,N-trimethylammonium bromide
(1-Tetradecyl)trimethylammonium bromide
C14TAB
MiTMAB

Work with Tetradecyltrimethylammonium 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.

Tetradecyltrimethylammonium chloride4574-04-3Salt

Similar compounds

Dodecyltrimethylammonium bromide1119-94-4100 % 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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