(1-Butyl)triethylammonium bromide

C₁₀H₂₄BrNCAS 13028-69-8238.21 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₀H₂₄BrN
Molar mass: 238.21 g/mol
Exact mass: 237.1092 Da
logP: -0.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

13028-69-8

SMILES

CCCC[N+](CC)(CC)CC.[Br-]

InChIKey

ZNFYPPCUDSCDPR-UHFFFAOYSA-M

InChI

InChI=1S/C10H24N.BrH/c1-5-9-10-11(6-2,7-3)8-4;/h5-10H2,1-4H3;1H/q+1;/p-1

Weigh it out

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

Work with (1-Butyl)triethylammonium 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

Similar compounds

Tetrabutylammonium bromide1643-19-275 % similar Tetraoctylammonium bromide14866-33-261 % similar Tetradecylammonium bromide14937-42-961 % similar Tetrahexylammonium bromide4328-13-661 % similar Tetraheptylammonium bromide4368-51-861 % similar Tetraethylammonium bromide71-91-055 % similar Tributylmethylammonium bromide37026-88-354 % similar Tetrabutylammonium chloride1112-67-052 % similar

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

Elsewhere

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