Tributylmethylammonium methyl sulfate - ≥95% , CAS No.13106-24-6

CAS: 13106-24-6 Cat. No.: T342740 Peso molecular: 311.48 Número EC: 803-015-8 PubChem CID: 11045164

GRADE & PURITY ≥95%

Synonyms

MTBS | Tributylmethylammonium methyl sulfate | SCHEMBL306587 | T895DNZ4FX | methyl sulfate;tributyl(methyl)azanium | N,N-Dibutyl-N-methylbutan-1-aminiummethylsulfate | 1-Butanaminium, N,N-dibutyl-N-methyl-, methyl sulfate (1:1) | Tributylmethylammonium me

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MTBS | Tributylmethylammonium methyl sulfate | SCHEMBL306587 | T895DNZ4FX | methyl sulfate;tributyl(methyl)azanium | N, N-Dibutyl-N-methylbutan-1-aminiummethylsulfate | 1-Butanaminium, N, N-dibutyl-N-methyl-, methyl sulfate (1:1) | Tributylmethylammonium me

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504765927
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765927
• Sonrisas canónicas: CCCC[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
• IUPAC Name: methyl sulfate;tributyl(methyl)azanium
• InChIKey: FIMHASWLGDDANN-UHFFFAOYSA-M
• 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
• Isómeros SMILES: CCCC[N+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
• WGK Alemania: 1
• PubChem CID: 11045164
• Peso molecular: 311.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Alkyl sulfates Tetraalkylammonium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de inflamación (°F): 354.2 °F
• Punto de inflamación (°C): 179 °C
• Punto de fusión (°C): 62° C
• Peso molecular: 311.480 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 311.213 Da
• Monoisotopic Mass: 311.213 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 189.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referencias

1. Mengjing Feng, Zhigang Lei, Chengmin Gui.  (2026)  Thermodynamics and DFT-guided ionic liquid screening for enhanced drug solubility and mechanistic elucidation.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2026.123488]