tetramethylazanium hydrogen sulfate

• ChemBase ID: 156287
• Molecular Formular: C4H13NO4S
• Molecular Mass: 171.21532
• Monoisotopic Mass: 171.0565289
• SMILES: C[N+](C)(C)C.OS(=O)(=O)[O-]
• Canonical SMILES: C[N+](C)(C)C.[O-]S(=O)(=O)O
• InChI: InChI=1S/C4H12N.H2O4S/c2*1-5(2,3)4/h1-4H3;(H2,1,2,3,4)/q+1;/p-1
• InChIKey: DWTYPCUOWWOADE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium hydrogen sulfate
• IUPAC Traditional name: tetramethylammonium hydrogensulfate
• Synonyms: Tetramethylammonium hydrogen sulfate solution; Tetramethylammonium bisulfate solution; Tetramethylammonium hydrogen sulfate; Tetramethylammonium bisulfate; 四甲基重硫酸铵 溶液; 四甲基硫酸氢铵 溶液; 四甲基硫酸氢铵

Database IDs

• CAS Number: 80526-82-5
• EC Number: 231-791-2; 279-490-5
• MDL Number: MFCD00036149
• Beilstein Number: 4829202
• PubChem SID: 24888942; 162250425; 24888939
• PubChem CID: 157340

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 210 nm Amax: 0.05; λ: 220 nm Amax: 0.04; λ: 230 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

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

Product Information

• Purity: ≥99.0% (T)
• Grade: for ion pair chromatography; puriss. p.a.
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• Quality: ampule
• λ: 10 % in H2O; in concentrate
• Linear Formula: (CH3)4N(HSO4)

DETAILS

Sigma Aldrich - 87727

Packaging
concentrate (~0.33 M) in ampules for 6x1 l 0.005 M ready-to-use solution