1-Methylimidazole ethiodide

C₆H₁₁IN₂CAS 35935-34-3238.07 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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

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-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt 1-Ethyl-3-methylimidazolium dicyanamide370865-89-7Salt 1-Ethyl-3-methylimidazolium acetate143314-17-4Salt 1-Ethyl-3-methylimidazolium bromide65039-08-9Salt 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-3Salt 1-Ethyl-3-methylimidazolium diethylphosphate848641-69-0Salt 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-0Salt 1-Ethyl-3-methylimidazolium nitrate143314-14-1Salt 1-Ethyl-3-methylimidazolium P-toluenesulfonate328090-25-1Salt

Similar compounds

1-Methyl-3-propylimidazolium iodide119171-18-567 % similar 1-Butyl-3-methylimidazolium iodide65039-05-663 % similar 1-Propyl-3-methylimidazolium bromide85100-76-152 % similar 1,3-Dimethylimidazolium iodide4333-62-450 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-649 % similar 1-Butyl-3-methylimidazolium chloride79917-90-149 % similar 1-Butyl-3-methylimidazolium bromide85100-77-249 % similar 1-Hexyl-3-methylimidazolium tetrafluoroborate244193-50-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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