chempirical

1-Ethyl-3-methylimidazolium acetate

C8H14N2O2CAS 143314-17-4170.21 g/mol

Open in Covalent MOL file
OO−NN+
Carboxylic acid

Properties

Molecular formula
C8H14N2O2
Molar mass
170.21 g/mol
Exact mass
170.1055 Da
Density
1.059 g/mL (at 100 °C)
Melting point
below −20 °C
logP
-0.91Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
143314-17-4
SMILES
CC(=O)[O-].CCn1cc[n+](C)c1
InChIKey
XIYUIMLQTKODPS-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

7 names
  • 1-Ethyl-3-methylimidazolium ethanoate
  • 1H-Imidazolium, 3-ethyl-1-methyl-, acetate (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, acetate
  • 3-Ethyl-1-methylimidazolium acetate
  • LM 1132
  • 1-Methyl-3-ethylimidazolium acetate
  • Basionics BC 01

Work with 1-Ethyl-3-methylimidazolium acetate

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-Methylimidazole ethiodide35935-34-360 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-960 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-060 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-357 % similar 1-Ethyl-3-methylimidazolium dicyanamide370865-89-751 % similar 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-251 % similar 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-551 % similar 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-248 % similar

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

Same formula

Levetiracetam102767-28-2 α-Ethyl-2-oxo-1-pyrrolidineacetamide33996-58-6

Elsewhere

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