chempirical

1-Ethyl-3-methylimidazolium ethylsulfate

C8H16N2O4SCAS 342573-75-5236.29 g/mol

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Properties

Molecular formula
C8H16N2O4S
Molar mass
236.29 g/mol
Exact mass
236.0831 Da
Density
1.2075 g/mL (at 79.15 °C)
Melting point
−65 °C
logP
-0.18Crippen estimate
Polar surface area
75.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 108 ECHA notifiers. Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
342573-75-5
SMILES
CCOS(=O)(=O)[O-].CCn1cc[n+](C)c1
InChIKey
VRFOKYHDLYBVAL-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.C2H6O4S/c1-3-8-5-4-7(2)6-8;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1

Weigh it out

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

Names and synonyms

12 names
  • 1H-Imidazolium, 3-ethyl-1-methyl-, ethyl sulfate (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, ethyl sulfate
  • Ecoeng 212
  • Tego IL-IMES
  • Ecoeng 121
  • E 0650
  • Tego IL EMIM-ES
  • Basionics LQ 01
  • Emin ETOSO3
  • 1-Ethyl-3-methylimidazolium ethylsulfate(1-)
  • LQ 01
  • [EMIM]ETSO4

Work with 1-Ethyl-3-methylimidazolium ethylsulfate

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-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-257 % similar 1-Methylimidazole ethiodide35935-34-354 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-954 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-054 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-351 % similar 1-Ethyl-3-methylimidazolium acetate143314-17-451 % similar 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-250 % similar 1-Ethyl-3-methylimidazolium dicyanamide370865-89-750 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook