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

CAS: 37026-88-3 Cat. No.: T169964 Molecular Weight: 280.29 Beilstein Registry Number: 3704270 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196520
• Canonical Smiles: 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
• Isomeric SMILES: CCCC[N+](C)(CCCC)CCCC.[Br-]
• WGK Germany: 3
• Alternate CAS: 29814-63-9
• Molecular Weight: 280.29
• Beilstein: 3704270

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: H2O: 0.1 g/mL, clear, colorless
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 120-122 °C
• Molecular Weight: 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

References

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]