1,3-Dimethylimidazolium iodide

C5H9IN2CAS 4333-62-4224.05 g/mol

Open in Covalent MOL file
NN+I−

Properties

Molecular formula
C5H9IN2
Molar mass
224.05 g/mol
Exact mass
223.9810 Da
Melting point
52–54 °C
logP
-3.15Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
4333-62-4
SMILES
Cn1cc[n+](C)c1.[I-]
InChIKey
ARSMIBSHEYKMJT-UHFFFAOYSA-M
InChI
InChI=1S/C5H9N2.HI/c1-6-3-4-7(2)5-6;/h3-5H,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • 1H-Imidazolium, 1,3-dimethyl-, iodide (1:1)
  • Imidazolium, 1,3-dimethyl-, iodide
  • 1H-Imidazolium, 1,3-dimethyl-, iodide
  • 1-Methylimidazole methiodide
  • N,N′-Dimethylimidazolium iodide
  • 1,3-Dimethyl-1H-imidazolium iodide

Work with 1,3-Dimethylimidazolium 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.

1,3-Dimethylimidazolium chloride79917-88-7Salt

Similar compounds

1-Methylimidazole ethiodide35935-34-350 % similar 1-Methyl-3-propylimidazolium iodide119171-18-547 % similar 1-Butyl-3-methylimidazolium iodide65039-05-644 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-936 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-036 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-334 % similar 1-Propyl-3-methylimidazolium bromide85100-76-134 % similar 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook