1-ethyl-1-methylpyrrolidin-1-ium; tetrafluoroboranuide

• ChemBase ID: 142835
• Molecular Formular: C7H16BF4N
• Molecular Mass: 201.0132528
• Monoisotopic Mass: 201.1311928
• SMILES: [B-](F)(F)(F)F.CC[N+]1(CCCC1)C
• Canonical SMILES: F[B-](F)(F)F.CC[N+]1(C)CCCC1
• InChI: InChI=1S/C7H16N.BF4/c1-3-8(2)6-4-5-7-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
• InChIKey: LAGDCVJRCOKWTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1-methylpyrrolidin-1-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate
• Synonyms: 1-Ethyl-1-methylpyrrolidinium tetrafluoroborate; 四氟硼酸 1-乙基-1-甲基吡咯烷鎓

Database IDs

• CAS Number: 117947-85-0
• MDL Number: MFCD08458505
• PubChem SID: 162237061
• PubChem CID: 18374068

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.2095618
• LogD (pH = 7.4): -3.2095618
• Log P: -3.2095618
• Molar Refractivity: 48.1913 cm^3
• Polarizability: 14.371663 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (T); 98%
• Impurities: ≤0.5% water
• Empirical Formula (Hill Notation): C7H16BF4N

DETAILS

Sigma Aldrich - 713163

Packaging
5, 50 g in poly bottle