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

Hazards

Warning
Irritant (GHS07)

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P501

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

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt Cobalt(II) acetate71-48-7Salt

Similar compounds

1-Methyl-3-propylimidazolium iodide119171-18-541 % similar 1-Propyl-3-methylimidazolium bromide85100-76-141 % similar 1-Butyl-3-methylimidazolium nitrate179075-88-840 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-640 % similar 1-Butyl-3-methylimidazolium iodide65039-05-640 % similar 1-Butyl-3-methylimidazolium chloride79917-90-140 % similar 1-Butyl-3-methylimidazolium bromide85100-77-240 % similar 1-Butyl-3-methylimidazolium methanesulfonate342789-81-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Levetiracetam102767-28-2 Alpha-ethyl-2-oxo-1-Pyrrolidineacetamide33996-58-6

Elsewhere

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