3-ethyl-1-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

• ChemBase ID: 798511
• Molecular Formular: C6H11BF4N2
• Molecular Mass: 197.9695528
• Monoisotopic Mass: 198.09514164
• SMILES: F[B-](F)(F)F.[n+]1(cn(cc1)C)CC
• Canonical SMILES: F[B-](F)(F)F.CC[n+]1ccn(c1)C
• InChI: InChI=1S/C6H11N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: CUNYTRQQXKCRTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium tetrafluoroborate
• Synonyms: 1-ethyl-3-methylimidazolium tetrafluoroborate

Database IDs

• CAS Number: 143314-16-3

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.755673 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%