chempirical

1,3-Dicyclohexyl-imidazolium chloride

C15H25ClN2CAS 181422-72-0268.83 g/mol

Open in Covalent MOL file
NN+Cl−

Properties

Molecular formula
C15H25ClN2
Molar mass
268.83 g/mol
Exact mass
268.1706 Da
logP
0.79Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

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
181422-72-0
SMILES
C1CCC(CC1)N2C=C[N+](=C2)C3CCCCC3.[Cl-]
InChIKey
UPJKDKOHHMKJAY-UHFFFAOYSA-M
InChI
InChI=1S/C15H25N2.ClH/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15;/h11-15H,1-10H2;1H/q+1;/p-1

Weigh it out

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

Work with 1,3-Dicyclohexyl-imidazolium 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.

1,3-Dicyclohexyl-imidazolium tetrafluoroborate286014-38-8Salt

Similar compounds

1,3-Diisopropylimidazolium chloride139143-09-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook