tetramethylazanium hydrate hydrogen sulfate

• ChemBase ID: 145687
• Molecular Formular: C4H15NO5S
• Molecular Mass: 189.2306
• Monoisotopic Mass: 189.06709359
• SMILES: C[N+](C)(C)C.O.OS(=O)(=O)[O-]
• Canonical SMILES: C[N+](C)(C)C.[O-]S(=O)(=O)O.O
• InChI: InChI=1S/C4H12N.H2O4S.H2O/c2*1-5(2,3)4;/h1-4H3;(H2,1,2,3,4);1H2/q+1;;/p-1
• InChIKey: VSJXNAHOWBCQRE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium hydrate hydrogen sulfate
• IUPAC Traditional name: tetramethylammonium hydrate hydrogensulfate
• Synonyms: Tetramethylammonium hydrogensulfate hydrate; Tetramethylammonium hydrogensulfate hydrate; Tetramethylammoniumbisulfate hydrate; Tetramethylammonium hydrogen sulfate monohydrate; 四甲基硫酸氢铵 水合物; 四甲基硫酸氢铵 水合物; 硫酸氢四甲铵 水合物; 四甲基硫酸氢铵 一水合物

Database IDs

• CAS Number: 103812-00-6; 207738-07-6
• MDL Number: MFCD00150356
• Beilstein Number: 4829202
• PubChem SID: 24850278; 24862042; 162239890; 24888941
• PubChem CID: 16212300

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

• Melting Point: 292-295 °C(lit.)

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: ≥98.0% (calc. on dry substance, T); ≥98.0% (T); 98%
• Grade: purum
• Impurities: ≤12% water
• Quality: crystallized
• Linear Formula: (CH3)4N(HSO4) · H2O; (CH3)4N(HSO4) · xH2O

DETAILS

Sigma Aldrich - 87726

Packaging
50 g in poly bottle

Sigma Aldrich - 358967

Packaging
10 g in glass bottle
50 g in poly bottle