1-Decyl-3-methylimidazolium chloride

C₁₄H₂₇ClN₂CAS 171058-18-7258.83 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₇ClN₂
Molar mass: 258.83 g/mol
Exact mass: 258.1863 Da
Melting point: 38.02 °C
logP: 0.46Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

171058-18-7

SMILES

CCCCCCCCCCn1cc[n+](C)c1.[Cl-]

InChIKey

HTZVLLVRJHAJJF-UHFFFAOYSA-M

InChI

InChI=1S/C14H27N2.ClH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

2 names

1H-Imidazolium, 3-decyl-1-methyl-, chloride (1:1)
1H-Imidazolium, 1-decyl-3-methyl-, chloride

Work with 1-Decyl-3-methylimidazolium 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

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.

1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-6Salt 1-Decyl-3-methylimidazolium tetrafluoroborate244193-56-4Salt 1-Decyl-3-methylimidazolium bromide188589-32-4Salt

Similar compounds

1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-5100 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-6100 % 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-Tetradecyl-3-methylimidazolium bromide471907-87-682 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-182 % similar 1-Hexyl-3-methylimidazolium bromide85100-78-382 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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