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

• ChemBase ID: 288050
• Molecular Formular: C8H15BF4N2
• Molecular Mass: 226.0227128
• Monoisotopic Mass: 226.12644177
• SMILES: Cn1cc[n+](CCCC)c1.F[B-](F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CCCC[n+]1ccn(c1)C
• InChI: InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
• InChIKey: LSBXQLQATZTAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-butyl-1-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC Traditional name: C4mim tetrafluoroborate
• Synonyms: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate; 1-butyl-3-methylimidazolium tetrafluoroborate

Database IDs

• CAS Number: 174501-65-6
• MDL Number: MFCD00000328
• PubChem SID: 180673581
• PubChem CID: 2734178

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• Molar Refractivity: 42.7263 cm^3
• Polarizability: 16.442808 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%