Trimethylethylammonium Bromide - ≥98% , CAS No.2650-77-3

CAS: 2650-77-3 Cat. No.: T770791 PubChem CID: 75856

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC[N+](C)(C)C.[Br-]
• IUPAC Name: ethyl(trimethyl)azanium;bromide
• InChIKey: UMSGVWVBUHUHEH-UHFFFAOYSA-M
• INCHI: 1S/C5H14N.BrH/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CC[N+](C)(C)C.[Br-]
• Alternate CAS: 2650-77-3,15302-88-2 (Parent)
• PubChem CID: 75856
• MeSH Entry Terms: ethyltrimethylammonium;TMEA chloride;trimethylethylammonium;trimethylethylammonium acetate;trimethylethylammonium bromide;trimethylethylammonium chloride;trimethylethylammonium hydroxide;trimethylethylammonium iodide;trimethylethylammonium sulfite (1:1)

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: Organopnictogen compounds Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - 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

• Molecular Weight: 168.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.031 Da
• Monoisotopic Mass: 167.031 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 33.700
• 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. Junjie Tong, Chen Dong, Miaosen Yao, Qichao Wang, Chenlei Shen, Yaxin Yue, Lei Yan, Yueyue Gao, Gentian Yue, Weifeng Zhang, Makhsud I. Saidaminov, Furui Tan.  (2025)  22.1% Carbon-Electrode Perovskite Solar Cells by Spontaneous Passivation and Self-Assembly of Hole-Transport Bilayer.  ACS Nano,      [PMID:40159862] [10.1021/acsnano.4c16916]