1-butyl-1-methylpiperidin-1-ium; tetrafluoroboranuide

• ChemBase ID: 141816
• Molecular Formular: C10H22BF4N
• Molecular Mass: 243.0929928
• Monoisotopic Mass: 243.17814299
• SMILES: [B-](F)(F)(F)F.CCCC[N+]1(CCCCC1)C
• Canonical SMILES: F[B-](F)(F)F.CCCC[N+]1(C)CCCCC1
• InChI: InChI=1S/C10H22N.BF4/c1-3-4-8-11(2)9-6-5-7-10-11;2-1(3,4)5/h3-10H2,1-2H3;/q+1;-1
• InChIKey: CGQPPCWBIGFWDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butyl-1-methylpiperidin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-butyl-1-methylpiperidin-1-ium tetrafluoroborate
• Synonyms: 1-Butyl-1-methylpiperidinium tetrafluoroborate; 1-丁基-1-甲基哌啶鎓 四氟硼酸酯

Database IDs

• CAS Number: 886439-34-5
• MDL Number: MFCD14156007
• PubChem SID: 162236050
• PubChem CID: 60196382

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.797902
• LogD (pH = 7.4): -1.797902
• Log P: -1.797902
• Molar Refractivity: 61.9173 cm^3
• Polarizability: 19.910934 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98.5-101.5% (T); 99%
• Impurities: ≤0.5% water
• Antion Traces: bromide (Br-): ≤25 mg/kg; chloride (Cl-): ≤10 mg/kg; nitrate (NO3-): ≤25 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤25 mg/kg
• Empirical Formula (Hill Notation): C10H22BF4N

DETAILS

Sigma Aldrich - 713082

Packaging
5, 50 g in glass bottle