bis(tetrabutylazanium) sulfate

• ChemBase ID: 146552
• Molecular Formular: C32H72N2O4S
• Molecular Mass: 580.99008
• Monoisotopic Mass: 580.52127979
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
• InChIKey: ZXUCBXRTRRIBSO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(tetrabutylazanium) sulfate
• IUPAC Traditional name: bis(tetrabutylammonium) sulfate
• Synonyms: Tetrabutylammonium sulfate solution; Tetra-n-butylammonium sulfate; 四丁基硫酸铵 溶液; 四正丁基硫酸铵

Database IDs

• CAS Number: 2472-88-0
• EC Number: 219-593-4
• MDL Number: MFCD00216632
• PubChem SID: 162240746; 24867443
• PubChem CID: 11433187

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• Molar Refractivity: 91.3961 cm^3
• Polarizability: 31.734425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 84 °C
• Density: 1.01 g/mL at 25 °C
• Refractive Index: n20/D 1.417

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 50% w/w aq. soln.
• Concentration: 50 wt. % in H2O
• Linear Formula: [[CH3(CH2)3]4N]2SO4

DETAILS

Sigma Aldrich - 438308

Packaging
100, 500 mL in glass bottle