chempirical

1-Hexyl-2,3-dimethylimidazolium bromide

C11H21BrN2CAS 411222-01-0261.21 g/mol

Open in Covalent MOL file
NN+Br−

Properties

Molecular formula
C11H21BrN2
Molar mass
261.21 g/mol
Exact mass
260.0888 Da
logP
-0.79Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
411222-01-0
SMILES
CCCCCCN1C=C[N+](=C1C)C.[Br-]
InChIKey
KTUDCAXDKIVTNY-UHFFFAOYSA-M
InChI
InChI=1S/C11H21N2.BrH/c1-4-5-6-7-8-13-10-9-12(3)11(13)2;/h9-10H,4-8H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Work with 1-Hexyl-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-Hexyl-2,3-dimethylimidazolium chloride455270-59-4Salt 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-1Salt

Similar compounds

1-Butyl-2,3-dimethylimidazolium bromide475575-45-288 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-168 % similar 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-068 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-163 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-362 % similar 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-255 % similar 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-748 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-947 % similar

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

Elsewhere

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