1-Ethyl-2,3-dimethylimidazolium bromide

C₇H₁₃BrN₂CAS 98892-76-3205.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃BrN₂
Molar mass: 205.10 g/mol
Exact mass: 204.0262 Da
logP: -2.36Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

Similar compounds

1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-742 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-938 % similar

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

Same formula

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

Elsewhere

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