1-Butyl-3-methylimidazolium iodide

C₈H₁₅IN₂CAS 65039-05-6266.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₅IN₂
Molar mass: 266.13 g/mol
Exact mass: 266.0280 Da
logP: -1.88Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65039-05-6

SMILES

CCCCN1C=C[N+](=C1)C.[I-]

InChIKey

XREPTGNZZKNFQZ-UHFFFAOYSA-M

InChI

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

Weigh it out

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

Work with 1-Butyl-3-methylimidazolium 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-Butyl-3-methylimidazolium hexafluorophosphate174501-64-5Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Butyl-3-methylimidazolium chloride79917-90-1Salt 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-6Salt 1-Butyl-3-methylimidazolium bromide85100-77-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt 1-Butyl-3-methylimidazolium methanesulfonate342789-81-5Salt 1-Butyl-3-methylimidazolium hydrogen sulfate262297-13-2Salt 1-Butyl-3-methylimidazolium acetate284049-75-8Salt 1-Butyl-3-methylimidazolium dicyanamide448245-52-1Salt 1-Butyl-3-methylimidazolium nitrate179075-88-8Salt

Similar compounds

1-Methyl-3-propylimidazolium iodide119171-18-580 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-571 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-971 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-671 % similar 1-Decyl-3-methylimidazolium chloride171058-18-771 % similar 1-Decyl-3-methylimidazolium bromide188589-32-471 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-671 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-171 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dimethyl-3-propylimidazolium iodide218151-78-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook