1-Ethyl-2,3-dimethylimidazolium bromide

C7H13BrN2CAS 98892-76-3205.10 g/mol

Open in Covalent MOL file
NN+Br−

Properties

Molecular formula
C7H13BrN2
Molar mass
205.10 g/mol
Exact mass
204.0262 Da
logP
-2.36Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

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

Identifiers

CAS number
98892-76-3
SMILES
CCn1cc[n+](C)c1C.[Br-]
InChIKey
GITMVCYKHULLDM-UHFFFAOYSA-M
InChI
InChI=1S/C7H13N2.BrH/c1-4-9-6-5-8(3)7(9)2;/h5-6H,4H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

3 names
  • 1H-Imidazolium, 3-ethyl-1,2-dimethyl-, bromide (1:1)
  • 1H-Imidazolium, 1-ethyl-2,3-dimethyl-, bromide
  • 1,2-Dimethyl-3-ethylimidazolium bromide

Work with 1-Ethyl-2,3-dimethylimidazolium 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

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-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-4Salt 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide174899-90-2Salt 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate307492-75-7Salt

Similar compounds

1-Butyl-2,3-dimethylimidazolium bromide475575-45-266 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-062 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-156 % similar 1-Butyl-2,3-dimethylimidazolium chloride98892-75-253 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-450 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-149 % similar 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-049 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook