chempirical

1-Decyl-3-methylimidazolium chloride

C14H27ClN2CAS 171058-18-7258.83 g/mol

Open in Covalent MOL file
NN+Cl−

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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

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

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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

Similar compounds

1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-5100 % 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-Octyl-3-methylimidazolium hexafluorophosphate304680-36-275 % similar 1-Butyl-3-methylimidazolium bromide85100-77-271 % similar 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-565 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-665 % similar

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

Elsewhere

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