tributyl(methyl)azanium methyl sulfate

• ChemBase ID: 142071
• Molecular Formular: C14H33NO4S
• Molecular Mass: 311.48112
• Monoisotopic Mass: 311.21302954
• SMILES: CCCC[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
• Canonical SMILES: COS(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)C
• InChI: InChI=1S/C13H30N.CH4O4S/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5-6(2,3)4/h5-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: FIMHASWLGDDANN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(methyl)azanium methyl sulfate
• IUPAC Traditional name: tributyl(methyl)azanium methyl sulfate(1-)
• Synonyms: Basionics® ST 62; Methyltributylammonium methyl sulfate; Tributylmethylammonium methyl sulfate; 甲基三丁基甲基硫酸铵; 甲基三丁基硫酸铵甲酯

Database IDs

• CAS Number: 13106-24-6
• EC Number: 454-210-6
• MDL Number: MFCD06798174
• PubChem SID: 162236302; 24864279
• PubChem CID: 11045164

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -4.701068E-4
• LogD (pH = 7.4): -4.701068E-4
• Log P: -4.701068E-4
• Molar Refractivity: 77.5225 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 179 °C; 354.2 °F

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95%
• Grade: produced by BASF
• Impurities: ≤0.5% water
• Antion Traces: chloride (Cl-): ≤30 mg/kg
• Empirical Formula (Hill Notation): C14H33NO4S

DETAILS

Sigma Aldrich - 38938

Other Notes
prices for bulk quantities on request
Packaging
100 g in glass bottle
Application
Basionic Ionic Liquids
Legal Information
Basionics is a registered trademark of BASF SE