(5-Bromopentyl)trimethylammonium bromide

C₈H₁₉Br₂NCAS 15008-33-0289.05 g/mol

Open in Covalent MOL file

Alkyl halide Quaternary ammonium

Properties

Molecular formula: C₈H₁₉Br₂N
Molar mass: 289.05 g/mol
Exact mass: 286.9884 Da
logP: -0.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

15008-33-0

SMILES

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

InChIKey

GEIHNRASRNQTDE-UHFFFAOYSA-M

InChI

InChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Work with (5-Bromopentyl)trimethylammonium 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

(3-Bromopropyl)trimethylammonium bromide3779-42-882 % similar Decamethonium bromide541-22-071 % similar Hexamethonium bromide55-97-071 % similar (2-Bromoethyl)trimethylammonium bromide2758-06-765 % similar Dodecyltrimethylammonium bromide1119-94-458 % similar Tetradecyltrimethylammonium bromide1119-97-758 % similar Octadecyltrimethylammonium bromide1120-02-158 % similar Decyltrimethylammonium bromide2082-84-058 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook