chempirical

1,3-Diisopropylimidazolium chloride

C9H17ClN2CAS 139143-09-2188.70 g/mol

Open in Covalent MOL file
NN+Cl−

Properties

Molecular formula
C9H17ClN2
Molar mass
188.70 g/mol
Exact mass
188.1080 Da
logP
-1.06Crippen 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
139143-09-2
SMILES
CC(C)N1C=C[N+](=C1)C(C)C.[Cl-]
InChIKey
DOFXKPAOJLLPII-UHFFFAOYSA-M
InChI
InChI=1S/C9H17N2.ClH/c1-8(2)10-5-6-11(7-10)9(3)4;/h5-9H,1-4H3;1H/q+1;/p-1

Weigh it out

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

Work with 1,3-Diisopropylimidazolium 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-Diisopropylimidazolium tetrafluoroborate286014-34-4Salt

Similar compounds

1,3-Dicyclohexyl-imidazolium chloride181422-72-039 % similar

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

Elsewhere

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