chempirical

1-Butyl-3-methylimidazolium iodide

C8H15IN2CAS 65039-05-6266.13 g/mol

Open in Covalent MOL file
NN+I−

Properties

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

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
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 hydrogen sulfate262297-13-2Salt 1-Butyl-3-methylimidazolium acetate284049-75-8Salt 1-Butyl-3-methylimidazolium dicyanamide448245-52-1Salt 1-Butyl-3-methylimidazolium methanesulfonate342789-81-5Salt 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

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