diethyl(2-methoxyethyl)methylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase ID: 143113
• Molecular Formular: C10H20F6N2O5S2
• Molecular Mass: 426.3966192
• Monoisotopic Mass: 426.07178307
• SMILES: CC[N+](C)(CC)CCOC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: O=S(=O)(C(F)(F)F)[N-]S(=O)(=O)C(F)(F)F.COCC[N+](CC)(CC)C
• InChI: InChI=1S/C8H20NO.C2F6NO4S2/c1-5-9(3,6-2)7-8-10-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
• InChIKey: WUFQNPMBKMKEHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(2-methoxyethyl)methylazanium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC Traditional name: bistriflylimide anion; diethyl(2-methoxyethyl)methylazanium
• Synonyms: N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium bis(trifluoromethanesulfonyl)imide; Diethylmethyl(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide; N,N-二乙基-N-甲基-N-(2-甲氧乙基)铵基双(三氟甲基磺酰)酰亚胺; 二乙基甲基-(2-甲氧乙基)铵基双(三氟甲磺酰基)酰亚胺

Database IDs

• CAS Number: 464927-84-2
• MDL Number: MFCD06656282
• Beilstein Number: 10134444
• PubChem SID: 162237335
• PubChem CID: 11487123

CALCULATED PROPERTIES

• Acid pKa: -0.54394513
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0732763
• LogD (pH = 7.4): 3.0732765
• Log P: 2.1652188
• Molar Refractivity: 31.3346 cm^3
• Polarizability: 14.158181 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Conductivity: ~25 mS/cm

Safety Information

• German water hazard class: 3

Product Information

• Purity: ≥98.5% (T)
• Grade: for electrochemistry
• Impurities: ≤500 ppm water
• Antion Traces: bromide (Br-): ≤10 mg/kg; chloride (Cl-): ≤10 mg/kg; fluoride (F-): ≤10 mg/kg; nitrate (NO3-): ≤20 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤10 mg/kg
• electrochemical window: -3.0-+3.5 V
• Empirical Formula (Hill Notation): C10H20F6N2O5S2

DETAILS

Sigma Aldrich - 727679

Packaging
5, 25 g in glass bottle