1-Methyl-3-propylimidazolium iodide

C₇H₁₃IN₂CAS 119171-18-5252.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃IN₂
Molar mass: 252.10 g/mol
Exact mass: 252.0123 Da
Density: 1.49 g/mL (at 85 °C)
Melting point: 17 °C
logP: -2.27Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

119171-18-5

SMILES

CCCn1cc[n+](C)c1.[I-]

InChIKey

IVCMUVGRRDWTDK-UHFFFAOYSA-M

InChI

InChI=1S/C7H13N2.HI/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

14 names · show all

1H-Imidazolium, 1-methyl-3-propyl-, iodide (1:1)
1H-Imidazolium, 1-methyl-3-propyl-, iodide
1-Propyl-3-methylimidazolium iodide
1-Methyl-3-n-propylimidazolium iodide
Methylpropylimidazolium iodide
MPII
MPrZ-I
3-Propyl-1-methylimidazolium iodide
PMII
3-Methyl-1-propylimidazolium iodide
1-Methyl-3-propyl-1H-imidazolium iodide
1-Methyl-3-propyl-1H-imidazol-3-ium iodide
3-Methyl-1-propyl-1H-imidazol-3-ium iodide
1-Propyl-3-methyl-1H-imidazol-3-ium iodide

Work with 1-Methyl-3-propylimidazolium 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

Similar compounds

1-Propyl-3-methylimidazolium bromide85100-76-179 % similar 1-Methylimidazole ethiodide35935-34-367 % similar 1-Butyl-3-methylimidazolium chloride79917-90-164 % similar 1-Butyl-3-methylimidazolium bromide85100-77-264 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-560 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-960 % similar 1-Decyl-3-methylimidazolium chloride171058-18-760 % similar 1-Octyl-3-methylimidazolium chloride64697-40-160 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook