chempirical

1-Methylimidazole ethiodide

C6H11IN2CAS 35935-34-3238.07 g/mol

Open in Covalent MOL file
NN+I−

Properties

Molecular formula
C6H11IN2
Molar mass
238.07 g/mol
Exact mass
237.9967 Da
Melting point
80–82 °C
logP
-2.66Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
35935-34-3
SMILES
CCn1cc[n+](C)c1.[I-]
InChIKey
IKQCDTXBZKMPBB-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.HI/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;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, 3-ethyl-1-methyl-, iodide (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, iodide
  • 1-Ethylimidazole methiodide
  • 1-Ethyl-3-methylimidazolium iodide
  • 1-Methyl-3-ethylimidazolium iodide
  • 1-Ethyl-1H-3-methylimidazolium iodide

Work with 1-Methylimidazole ethiodide

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

Similar compounds

1-Ethyl-3-methylimidazolium bromide65039-08-978 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-078 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-372 % similar 1-Methyl-3-propylimidazolium iodide119171-18-567 % similar 1-Ethyl-3-methylimidazolium dicyanamide370865-89-764 % similar 1-Ethyl-3-methylimidazolium acetate143314-17-460 % similar 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-254 % similar 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-254 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook