1-Methylpyridinium chloride

C₆H₈ClNCAS 7680-73-1129.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈ClN
Molar mass: 129.59 g/mol
Exact mass: 129.0345 Da
Melting point: 136–138 °C
logP: -2.48Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

7680-73-1

SMILES

C[n+]1ccccc1.[Cl-]

InChIKey

QAIGYXWRIHZZAA-UHFFFAOYSA-M

InChI

InChI=1S/C6H8N.ClH/c1-7-5-3-2-4-6-7;/h2-6H,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names

Pyridinium, 1-methyl-, chloride (1:1)
Pyridinium, 1-methyl-, chloride
N-Methylpyridinium chloride
Methylpyridinium chloride

Work with 1-Methylpyridinium 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

Similar compounds

Paraquat1910-42-552 % similar Ethylpyridinium chloride2294-38-443 % similar 1,3-Dimethylimidazolium chloride79917-88-738 % similar Butylpyridinium chloride1124-64-737 % similar 1-Benzyl-3-methylimidazolium chloride36443-80-836 % similar 1-(Cyanomethyl)pyridinium chloride17281-59-335 % similar Dodecylpyridinium chloride104-74-534 % similar Cetylpyridinium chloride123-03-534 % similar

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

Same formula

Benzenamine hydrochloride (1:1)142-04-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook