1-Methyl-3-propylimidazolium iodide

C7H13IN2CAS 119171-18-5252.10 g/mol

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NN+I−

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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 15 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
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

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-Propyl-3-methylimidazolium bromide85100-76-1Salt

Similar compounds

1-Butyl-3-methylimidazolium iodide65039-05-680 % 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-Hexyl-3-methylimidazolium chloride171058-17-660 % similar 1-Decyl-3-methylimidazolium chloride171058-18-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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