Tributylmethylammonium bromide - ≥98% , CAS No.37026-88-3

CAS: 37026-88-3 Cat. No.: T169964 Peso molecular: 280.29 Beilstein Registry Number: 3704270 Número EC: 253-313-1

GRADE & PURITY ≥98%

Synonyms

EINECS 253-313-1 | Methyl tributyl ammonium bromide | E79215 | N,N-dibutyl-N-methylbutan-1-aminium bromide | MFCD00043201 | Methyltri-n-Butylammonium Bromide | AKOS024437842 | SCHEMBL238424 | Tri-n-butylmethylammonium bromide | Methyltributylammonium brom

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 253-313-1 | Methyl tributyl ammonium bromide | E79215 | N, N-dibutyl-N-methylbutan-1-aminium bromide | MFCD00043201 | Methyltri-n-Butylammonium Bromide | AKOS024437842 | SCHEMBL238424 | Tri-n-butylmethylammonium bromide | Methyltributylammonium brom

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196520
• Sonrisas canónicas: CCCC[N+](C)(CCCC)CCCC.[Br-]
• IUPAC Name: tributyl(methyl)azanium;bromide
• InChIKey: DHAWHVVWUNNONG-UHFFFAOYSA-M
• INCHI: 1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CCCC[N+](C)(CCCC)CCCC.[Br-]
• WGK Alemania: 3
• CAS alternativo: 29814-63-9
• Peso molecular: 280.29
• Beilstein: 3704270

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

• Solubilidad: H2O: 0.1 g/mL, clear, colorless
• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 120-122 °C
• Peso molecular: 280.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 279.156 Da
• Monoisotopic Mass: 279.156 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 98.600
• 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. Hu Wenxu, Ge Dandan, Fu Feie, Yuan Lin, Yang Chunyan, Weng Zhehui, Huang Yao.  (2026)  Supramolecular solvents based on deep eutectic solvents and hexafluorobutanol for the extraction of aristolochic acids from natural plants.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:41642342] [10.1007/s00216-026-06357-w]