chempirical

1-Butyl-3-methylimidazolium tetrafluoroborate

C8H15BF4N2CAS 174501-65-6226.03 g/mol

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Properties

Molecular formula
C8H15BF4N2
Molar mass
226.03 g/mol
Exact mass
226.1264 Da
Density
1.21 g/mL
Melting point
−17 °C
logP
2.41Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
174501-65-6
SMILES
CCCCn1cc[n+](C)c1.F[B-](F)(F)F
InChIKey
LSBXQLQATZTAPE-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1

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

Names and synonyms

16 names · show all
  • 1H-Imidazolium, 3-butyl-1-methyl-, tetrafluoroborate(1-) (1:1)
  • 1H-Imidazolium, 1-butyl-3-methyl-, tetrafluoroborate(1-)
  • 1-Methyl-3-butylimidazolium tetrafluoroborate
  • 1-Butyl-3-methyl-1H-imidazolium tetrafluoroborate
  • 1-n-Butyl-3-methylimidazolium tetrafluoroborate
  • 3-Butyl-1-methylimidazolium tetrafluoroborate
  • 1-Butyl-3-methyl-1H-imidazolium tetrafluoroborate(1-)
  • BmimBF4
  • 1-Butyl-3-methylimidazolium tetrafluoroborate(1-)
  • 1-Butyl-1-methylimidazolium tetrafluoroborate
  • Bmim tetrafluoroborate
  • [1-Butyl-3-methylimidazolium]BF4
  • BMIm tetrafluoroborate(1-)
  • 1-Methyl-3-butylimidazolium tetrafluoroborate(1-)
  • Butylmethylimidazolium tetrafluoroborate
  • 1-Butyl-3-methyl-1H-imidazol-3-ium tetrafloroborate

Work with 1-Butyl-3-methylimidazolium tetrafluoroborate

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-Butyl-3-methylimidazolium chloride79917-90-174 % similar 1-Butyl-3-methylimidazolium bromide85100-77-274 % similar 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-572 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-368 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-565 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-965 % similar 1-Decyl-3-methylimidazolium chloride171058-18-765 % similar 1-Octyl-3-methylimidazolium chloride64697-40-165 % similar

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

Elsewhere

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