chempirical

1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate

C6H11BF4N2OCAS 374564-83-7213.97 g/mol

Open in Covalent MOL file
B−FFFFN+NOH
Alcohol

Properties

Molecular formula
C6H11BF4N2O
Molar mass
213.97 g/mol
Exact mass
214.0901 Da
logP
0.60Crippen estimate
Polar surface area
29.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
374564-83-7
SMILES
[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCO
InChIKey
KLTUZFZUYLXTFF-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N2O.BF4/c1-7-2-3-8(6-7)4-5-9;2-1(3,4)5/h2-3,6,9H,4-5H2,1H3;/q+1;-1

Weigh it out

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

Work with 1-(2-Hydroxyethyl)-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

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-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt

Similar compounds

1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-665 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-365 % similar 1-Hexyl-3-methylimidazolium tetrafluoroborate244193-50-862 % similar 1-Decyl-3-methylimidazolium tetrafluoroborate244193-56-462 % similar 1-Methyl-3-propylimidazolium iodide119171-18-547 % similar 1-Propyl-3-methylimidazolium bromide85100-76-147 % similar 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-046 % similar 1-Methylimidazole ethiodide35935-34-346 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook