Ethylpyridinium bromide

C₇H₁₀BrNCAS 1906-79-2188.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀BrN
Molar mass: 188.07 g/mol
Exact mass: 186.9997 Da
Melting point: 120–121 °C
logP: -2.00Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 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

1906-79-2

SMILES

CC[n+]1ccccc1.[Br-]

InChIKey

ABFDKXBSQCTIKH-UHFFFAOYSA-M

InChI

InChI=1S/C7H10N.BrH/c1-2-8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

5 names

Pyridinium, 1-ethyl-, bromide (1:1)
Pyridinium, 1-ethyl-, bromide
1-Ethylpyridinium bromide
EPB
N-Ethylpyridinium bromide

Work with Ethylpyridinium 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.

Ethylpyridinium chloride2294-38-4Salt

Similar compounds

1-Propylpyridinium bromide873-71-258 % similar 1-Butylpyridinium bromide874-80-654 % similar Dodecylpyridinium bromide104-73-450 % similar Cetylpyridinium bromide140-72-750 % similar Octylpyridinium bromide2534-66-950 % similar 1-(2-Oxopropyl)pyridinium bromide17282-41-645 % similar Butylpyridinium chloride1124-64-738 % similar 1-Butyl-3-methylpyridinium bromide26576-85-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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