1,2-Dimethyl-3-propylimidazolium iodide

C₈H₁₅IN₂CAS 218151-78-1266.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₅IN₂
Molar mass: 266.13 g/mol
Exact mass: 266.0280 Da
logP: -1.96Crippen estimate
Polar surface area: 8.8 Å²
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

218151-78-1

SMILES

CCCN1C=C[N+](=C1C)C.[I-]

InChIKey

ISHFYECQSXFODS-UHFFFAOYSA-M

InChI

InChI=1S/C8H15N2.HI/c1-4-5-10-7-6-9(3)8(10)2;/h6-7H,4-5H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Work with 1,2-Dimethyl-3-propylimidazolium iodide

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.

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt

Similar compounds

1-Butyl-2,3-dimethylimidazolium bromide475575-45-267 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-063 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-463 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-162 % similar 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-062 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-159 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-356 % similar 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-451 % similar

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

Same formula

1-Butyl-3-methylimidazolium iodide65039-05-6

Elsewhere

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