chempirical

1,3-Dimethylimidazolium chloride

C5H9ClN2CAS 79917-88-7132.59 g/mol

Open in Covalent MOL file
NN+Cl−

Properties

Molecular formula
C5H9ClN2
Molar mass
132.59 g/mol
Exact mass
132.0454 Da
logP
-3.15Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
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
79917-88-7
SMILES
CN1C=C[N+](=C1)C.[Cl-]
InChIKey
IIJSFQFJZAEKHB-UHFFFAOYSA-M
InChI
InChI=1S/C5H9N2.ClH/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1

Weigh it out

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Work with 1,3-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.

1,3-Dimethylimidazolium iodide4333-62-4Salt

Similar compounds

1-Ethyl-3-methylimidazolium chloride65039-09-050 % similar 1-(2-Hydroxyethyl)-3-methylimidazolium chloride61755-34-845 % similar 1-Allyl-3-methylimidazolium chloride65039-10-344 % similar 1-Butyl-3-methylimidazolium chloride79917-90-144 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-542 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-642 % similar 1-Decyl-3-methylimidazolium chloride171058-18-742 % similar 1-Benzyl-3-methylimidazolium chloride36443-80-842 % similar

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

Same formula

(2S)-Pyrrolidine-2-carbonitrile hydrochloride65732-69-6

Elsewhere

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