3-Methyl-N-butylpyridinium chloride

C₁₀H₁₆ClNCAS 125652-55-3185.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆ClN
Molar mass: 185.69 g/mol
Exact mass: 185.0971 Da
logP: -0.91Crippen estimate
Polar surface area: 3.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

125652-55-3

SMILES

CCCC[N+]1=CC=CC(=C1)C.[Cl-]

InChIKey

PHCASOSWUQOQAG-UHFFFAOYSA-M

InChI

InChI=1S/C10H16N.ClH/c1-3-4-7-11-8-5-6-10(2)9-11;/h5-6,8-9H,3-4,7H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

1 names

1-Butyl-3-methylpyridinium Chloride

Work with 3-Methyl-N-butylpyridinium 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

Butylpyridinium chloride1124-64-763 % similar Dodecylpyridinium chloride104-74-554 % similar Cetylpyridinium chloride123-03-554 % similar Tetradecylpyridinium chloride2785-54-854 % similar 1-Butyl-4-methylpyridinium hexafluorophosphate401788-99-650 % similar Cetylpyridinium chloride monohydrate6004-24-650 % similar Dodecylpyridinium bromide104-73-442 % similar Cetylpyridinium bromide140-72-742 % similar

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

Same formula

N,N-Dimethylphenethylamine hydrochloride10275-21-5 N-Butyl-4-methylpyridinium chloride112400-86-9 Phentermine hydrochloride1197-21-3 N,α-Dimethylphenethylamine hydrochloride300-42-5 Benzyltrimethylammonium chloride56-93-9

Elsewhere

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