benzyltrimethylazanium; hexafluorostibanuide

• ChemBase ID: 109250
• Molecular Formular: C10H16F6NSb
• Molecular Mass: 385.9911592
• Monoisotopic Mass: 385.02250884
• SMILES: F[Sb-](F)(F)(F)(F)F.C[N+](C)(C)Cc1ccccc1
• Canonical SMILES: F[Sb-](F)(F)(F)(F)F.C[N+](Cc1ccccc1)(C)C
• InChI: InChI=1S/C10H16N.6FH.Sb/c1-11(2,3)9-10-7-5-4-6-8-10;;;;;;;/h4-8H,9H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6
• InChIKey: IWHTWHTYKUIZLV-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyltrimethylazanium; hexafluorostibanuide
• IUPAC Traditional name: benzyltrimethylazanium; hexafluorostibanuide
• Synonyms: BENZYLTRIMETHYLAMMONIUM HEXAFLUOROANTIMONATE

Database IDs

• CAS Number: 65604-76-4
• PubChem SID: 162096108
• PubChem CID: 22741572

CALCULATED PROPERTIES

• Acid pKa: 18.822325
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.247694
• LogD (pH = 7.4): -2.247694
• Log P: -2.247694
• Molar Refractivity: 60.5143 cm^3
• Polarizability: 19.203337 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210339

MP Biomedicals Rare Chemical collection