Methyltributylammonium chloride

C₁₃H₃₀ClNCAS 56375-79-2235.84 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₃H₃₀ClN
Molar mass: 235.84 g/mol
Exact mass: 235.2067 Da
Melting point: 108–110 °C
logP: 0.84Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed37.4% of notifiers
H312 Harmful in contact with skin69.1% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation28.8% of notifiers
H400 Very toxic to aquatic life15.2% of notifiers
H410 Very toxic to aquatic life with long lasting effects24.3% of notifiers
H411 Toxic to aquatic life with long lasting effects46.1% of notifiers
H413 May cause long lasting harmful effects to aquatic life11.5% of notifiers

Aggregated from 243 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

56375-79-2

SMILES

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

InChIKey

IPILPUZVTYHGIL-UHFFFAOYSA-M

InChI

InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

5 names

1-Butanaminium, N,N-dibutyl-N-methyl-, chloride (1:1)
1-Butanaminium, N,N-dibutyl-N-methyl-, chloride
Tributylmethylammonium chloride
Aliquat 175
N-Methyl-N,N,N-tributylammonium chloride

Work with Methyltributylammonium 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.

Tributylmethylammonium bromide37026-88-3Salt Tributylmethylammonium bis(trifluoromethylsulfonyl)imide405514-94-5Salt

Similar compounds

Trioctylmethylammonium chloride5137-55-381 % similar Tridodecylmethylammonium chloride7173-54-881 % similar 1-Butyl-1-methylpyrrolidinium bromide93457-69-368 % similar Tetrabutylammonium chloride1112-67-062 % similar 1-Butyl-1-methylpyrrolidinium hexafluorophosphate330671-29-960 % similar Tetrabutyl ammonium chloride hydrate37451-68-654 % similar Tetrapentylammonium chloride4965-17-752 % similar Caprylyltrimethylammonium chloride10108-86-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Decyltrimethylammonium chloride10108-87-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook