chempirical

1-Ethyl-3-methylimidazolium bromide

C6H11BrN2CAS 65039-08-9191.07 g/mol

Open in Covalent MOL file
NN+Br−

Properties

Molecular formula
C6H11BrN2
Molar mass
191.07 g/mol
Exact mass
190.0106 Da
Melting point
76.9 °C
logP
-2.66Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
65039-08-9
SMILES
CCn1cc[n+](C)c1.[Br-]
InChIKey
GWQYPLXGJIXMMV-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

9 names
  • 1H-Imidazolium, 3-ethyl-1-methyl-, bromide (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, bromide
  • 1-Methyl-3-ethylimidazolium bromide
  • 1-Ethyl-3-methyl-1H-imidazolium bromide
  • 3-Ethyl-1-methyl-3H-imidazol-1-ium bromide
  • 3-Ethyl-1-methylimidazolium bromide
  • 1-Ethyl-3-methylmidazolium bromide
  • [C2Mim+][br-]
  • 1-Ethyl-3-methyl-1H-imidazol-3-ium bromide

Work with 1-Ethyl-3-methylimidazolium bromide

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 ethiodide35935-34-378 % similar 1-Ethyl-3-methylimidazolium chloride65039-09-078 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-372 % similar 1-Propyl-3-methylimidazolium bromide85100-76-167 % similar 1-Ethyl-3-methylimidazolium dicyanamide370865-89-764 % similar 1-Butyl-3-methylimidazolium bromide85100-77-263 % similar 1-Ethyl-3-methylimidazolium acetate143314-17-460 % similar 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-254 % similar

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

Elsewhere

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