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

• ChemBase ID: 798565
• Molecular Formular: C10H19BF4N2
• Molecular Mass: 254.0758728
• Monoisotopic Mass: 254.1577419
• SMILES: F[B-](F)(F)F.[n+]1(cn(cc1)C)CCCCCC
• Canonical SMILES: F[B-](F)(F)F.CCCCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C10H19N2.BF4/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)5/h8-10H,3-7H2,1-2H3;/q+1;-1
• InChIKey: MFXLOVLEQJRXFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 244193-50-8

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.2568401
• LogD (pH = 7.4): -1.2568401
• Log P: -1.2568401
• Molar Refractivity: 51.9283 cm^3
• Polarizability: 20.13241 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%