chempirical

Imidazolium chloride

C3H5ClN2CAS 1467-16-9104.54 g/mol

Open in Covalent MOL file
HClNHN

Properties

Molecular formula
C3H5ClN2
Molar mass
104.54 g/mol
Exact mass
104.0141 Da
logP
0.83Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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
1467-16-9
SMILES
Cl.c1c[nH]cn1
InChIKey
JDIIGWSSTNUWGK-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole, hydrochloride (1:1)
  • Imidazole, monohydrochloride
  • 1H-Imidazole, monohydrochloride
  • Imidazole hydrochloride

Work with 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.

Imidazole288-32-4Free base

Similar compounds

Pyridinium chloride628-13-733 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook