1-butyl-3-methylpyridin-1-ium pentafluoro-λ5-phosphane fluoride

• ChemBase ID: 296472
• Molecular Formular: C10H16F6NP
• Molecular Mass: 295.2049202
• Monoisotopic Mass: 295.09245547
• SMILES: CCCC[n+]1cccc(c1)C.[F-].FP(F)(F)(F)F
• Canonical SMILES: FP(F)(F)(F)F.CCCC[n+]1cccc(c1)C.[F-]
• InChI: InChI=1S/C10H16N.F5P.FH/c1-3-4-7-11-8-5-6-10(2)9-11;1-6(2,3,4)5;/h5-6,8-9H,3-4,7H2,1-2H3;;1H/q+1;;/p-1
• InChIKey: JTELKVHVHMPOCP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-3-methylpyridin-1-ium pentafluoro-λ^5-phosphane fluoride
• IUPAC Traditional name: 1-butyl-3-methylpyridin-1-ium phosphorus pentafluoride fluoride
• Synonyms: 1-n-Butyl-3-picolinium hexafluorophosphate; 3MBPPF6; 1-n-Butyl-3-methylpyridinium hexafluorophosphate; 1-正丁基-3-甲基吡啶六氟磷酸盐

Database IDs

• CAS Number: 845835-03-2
• MDL Number: MFCD08458504
• PubChem SID: 180682003
• PubChem CID: 73995100

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.3504746
• LogD (pH = 7.4): -1.3504746
• Log P: -1.3504746
• Molar Refractivity: 48.9713 cm^3
• Polarizability: 18.764648 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%