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

C₆H₁₁BF₄N₂OCAS 374564-83-7213.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₁BF₄N₂O
Molar mass: 213.97 g/mol
Exact mass: 214.0901 Da
logP: 0.60Crippen estimate
Polar surface area: 29.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

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 1-(2-Hydroxyethyl)-3-methylimidazolium chloride61755-34-8Salt

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-Propylene-3-methylimidazolium tetrafluoroborate851606-63-856 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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