bis(tetramethylazanium) hydrate sulfate

• ChemBase ID: 139066
• Molecular Formular: C8H26N2O5S
• Molecular Mass: 262.36744
• Monoisotopic Mass: 262.15624294
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.O.[O-]S(=O)(=O)[O-]
• Canonical SMILES: C[N+](C)(C)C.C[N+](C)(C)C.[O-]S(=O)(=O)[O-].O
• InChI: InChI=1S/2C4H12N.H2O4S.H2O/c3*1-5(2,3)4;/h2*1-4H3;(H2,1,2,3,4);1H2/q2*+1;;/p-2
• InChIKey: SMBVAMYBVVNSBZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tetramethylazanium) hydrate sulfate
• IUPAC Traditional name: bis(tetramethylammonium) hydrate sulfate
• Synonyms: Bis(tetramethylammonium) sulfate; Tetramethylammonium sulfate hydrate; 双(四甲基铵)硫酸盐; 四甲基硫酸铵 水合物

Database IDs

• CAS Number: 14190-16-0
• EC Number: 238-043-4
• MDL Number: MFCD00150012
• Beilstein Number: 3918039
• PubChem SID: 24888951; 162233317; 24859508
• PubChem CID: 16212048

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

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: 96%
• Linear Formula: [(CH3)4N]2(SO4) · xH2O

DETAILS

Sigma Aldrich - 87743

Packaging
25 g in poly bottle