3-ethyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 301293
• Molecular Formular: C7H13F6N2P
• Molecular Mass: 270.1557002
• Monoisotopic Mass: 270.07205438
• SMILES: F[P-](F)(F)(F)(F)F.C(C)[n+]1c(n(cc1)C)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[n+]1ccn(c1C)C
• InChI: InChI=1S/C7H13N2.F6P/c1-4-9-6-5-8(3)7(9)2;1-7(2,3,4,5)6/h5-6H,4H2,1-3H3;/q+1;-1
• InChIKey: XLKYEJKYOZNSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: 1-ethyl-2,3-dimethylimidazol-1-ium hexafluorophosphate
• Synonyms: 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate; 1-ethyl-2,3-dimethylimidazolium hexafluorophosphate

Database IDs

• CAS Number: 292140-86-4
• MDL Number: MFCD08458503

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.4739072
• LogD (pH = 7.4): -3.4739072
• Log P: -3.4739072
• Molar Refractivity: 48.8077 cm^3
• Polarizability: 14.520109 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%