1-butylpyridin-1-ium; tetrafluoroboranuide

• ChemBase ID: 294026
• Molecular Formular: C9H14BF4N
• Molecular Mass: 223.0187728
• Monoisotopic Mass: 223.11554273
• SMILES: CCCC[n+]1ccccc1.F[B-](F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CCCC[n+]1ccccc1
• InChI: InChI=1S/C9H14N.BF4/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)5/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1
• InChIKey: XLWDQAHXRCBPEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butylpyridin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-butylpyridin-1-ium tetrafluoroborate
• Synonyms: 1-Butylpyridin-1-ium tetrafluoroborate

Database IDs

• CAS Number: 203389-28-0
• MDL Number: MFCD03427602
• PubChem SID: 180679557
• PubChem CID: 2734180

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.863896
• LogD (pH = 7.4): -1.863896
• Log P: -1.863896
• Molar Refractivity: 43.9301 cm^3
• Polarizability: 16.997246 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%