Benzyltributylammonium chloride

C₁₉H₃₄ClNCAS 23616-79-7311.94 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₉H₃₄ClN
Molar mass: 311.94 g/mol
Exact mass: 311.2380 Da
Melting point: 157 °C
logP: 2.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 11

Hazards

Danger

H302 Harmful if swallowed98.4% of notifiers
H314 Causes severe skin burns and eye damage65.6% of notifiers
H315 Causes skin irritation20.3% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H319 Causes serious eye irritation28.1% of notifiers

Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

23616-79-7

SMILES

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Cl-]

InChIKey

VJGNLOIQCWLBJR-UHFFFAOYSA-M

InChI

InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

8 names

Benzenemethanaminium, N,N,N-tributyl-, chloride (1:1)
Ammonium, benzyltributyl-, chloride
Benzenemethanaminium, N,N,N-tributyl-, chloride
Tributylbenzylammonium chloride
Tri-n-butylbenzylammonium chloride
Benzyltrin-butylammonium chloride
N,N,N-Tributyl-N-benzylammonium chloride
QBA 444

Work with Benzyltributylammonium 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.

Benzyltributylammonium bromide25316-59-0Salt

Similar compounds

Benzyltripropylammonium chloride5197-87-579 % similar Benzyl triethylammonium chloride56-37-161 % similar Cetalkonium chloride122-18-961 % similar Stearalkonium chloride122-19-061 % similar Benzyldodecyldimethylammonium chloride139-07-161 % similar Benzyldimethyltetradecylammonium chloride139-08-261 % similar Benzalkonium chloride8001-54-561 % similar Tetrabutylammonium chloride1112-67-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetradecylpyridinium chloride2785-54-8

Elsewhere

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