chempirical

1-Propylene-3-methylimidazolium tetrafluoroborate

C7H11BF4N2CAS 851606-63-8209.98 g/mol

Open in Covalent MOL file
B−FFFFN+N
Alkene

Properties

Molecular formula
C7H11BF4N2
Molar mass
209.98 g/mol
Exact mass
210.0951 Da
logP
1.80Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

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
851606-63-8
SMILES
[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC=C
InChIKey
RGPHDVUJHZMMLN-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N2.BF4/c1-3-4-9-6-5-8(2)7-9;2-1(3,4)5/h3,5-7H,1,4H2,2H3;/q+1;-1

Weigh it out

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Names and synonyms

1 names
  • 1-Allyl-3-methylimidazolium tetrafluoroborate

Work with 1-Propylene-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-Allyl-3-methylimidazolium bromide31410-07-8Salt 1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide655249-87-9Salt 1-Allyl-3-methylimidazolium chloride65039-10-3Salt

Similar compounds

1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-363 % similar 1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate374564-83-756 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-655 % similar 1-Hexyl-3-methylimidazolium tetrafluoroborate244193-50-852 % similar 1-Decyl-3-methylimidazolium tetrafluoroborate244193-56-452 % similar 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-045 % similar 1-Methylimidazole ethiodide35935-34-345 % similar 1-Ethyl-3-methylimidazolium bromide65039-08-945 % similar

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

Elsewhere

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