1-Hexyl-2,3-dimethylimidazolium chloride

C₁₁H₂₁ClN₂CAS 455270-59-4216.75 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₂₁ClN₂
Molar mass: 216.75 g/mol
Exact mass: 216.1393 Da
logP: -0.79Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

455270-59-4

SMILES

CCCCCCN1C=C[N+](=C1C)C.[Cl-]

InChIKey

NCTQEXWJEPRHLV-UHFFFAOYSA-M

InChI

InChI=1S/C11H21N2.ClH/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-10H,4-8H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Work with 1-Hexyl-2,3-dimethylimidazolium 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-Hexyl-2,3-dimethylimidazolium bromide411222-01-0Salt 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-1Salt

Similar compounds

1-Butyl-2,3-dimethylimidazolium bromide475575-45-273 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-168 % similar 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-068 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-163 % similar 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-255 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-350 % similar 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-748 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-547 % similar

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

Elsewhere

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