1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride

C₁₆H₃₁ClN₂CAS 114569-84-5286.89 g/mol

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Properties

Molecular formula: C₁₆H₃₁ClN₂
Molar mass: 286.89 g/mol
Exact mass: 286.2176 Da
logP: 1.24Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 11

Hazards

Warning

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

Identifiers

CAS number

114569-84-5

SMILES

CCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]

InChIKey

OPXNHKQUEXEWAM-UHFFFAOYSA-M

InChI

InChI=1S/C16H31N2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;/h14-16H,3-13H2,1-2H3;1H/q+1;/p-1

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Names and synonyms

1 names

1-Dodecyl-3-methylimidazolium chloride

Work with 1-Dodecyl-3-methyl-1H-imidazol-3-ium 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

1-Hexyl-3-methylimidazolium chloride171058-17-6100 % similar 1-Decyl-3-methylimidazolium chloride171058-18-7100 % similar 1-Octyl-3-methylimidazolium chloride64697-40-1100 % similar 1-Butyl-3-methylimidazolium chloride79917-90-187 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-982 % similar 1-Decyl-3-methylimidazolium bromide188589-32-482 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-682 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-182 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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