N,N,N-Trimethyldocosan-1-aminium chloride - ≥80% , CAS No.17301-53-0

CAS: 17301-53-0 Cat. No.: N587655 Molecular Weight: 404.17 EC Number: 241-327-0

GRADE & PURITY ≥80%

Synonyms

N,N,N-Trimethyldocosan-1-aminium chloride | Behentrimonium chloride | Docosyltrimethylammonium chloride | X7GNG3S47T | UNII-X7GNG3S47T | N,N,N-Trimethyl-1-docosanaminium chloride | behenyl trimethyl ammonium chloride | docosyl(trimethyl)azanium | chloride

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

N, N, N-Trimethyldocosan-1-aminium chloride | Behentrimonium chloride | Docosyltrimethylammonium chloride | X7GNG3S47T | UNII-X7GNG3S47T | N, N, N-Trimethyl-1-docosanaminium chloride | behenyl trimethyl ammonium chloride | docosyl(trimethyl)azanium | chloride

Specifications & Purity

≥80%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥80%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• IUPAC Name: docosyl(trimethyl)azanium;chloride
• InChIKey: YSJGOMATDFSEED-UHFFFAOYSA-M
• INCHI: 1S/C25H54N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;/h5-25H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• Molecular Weight: 404.17
• Reaxy-Rn: 11327163
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11327163&ln=

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 chloride salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic chloride 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

• Molecular Weight: 404.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 21
• Exact Mass: 403.394 Da
• Monoisotopic Mass: 403.394 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 253.000
• 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

References

1. Yu Yongsheng, He Lin, Xu Junjie, Li Jiaming, Jiang Sida, Han Guanghui, Jiang Baojiang, Lei Wenjuan, Yang Weiwei, Hou Yanglong.  (2021)  A facile solution phase synthesis of directly ordering monodisperse FePt nanoparticles.  Nano Research,  15  (1): (446-451).  [PMID:] [10.1007/s12274-021-3499-4]

2. Jiao Yan, Zhenzhen Li, Chengye Yang, Ke Xu, Ying Tang.  (2025)  Worm-mic-derived hierarch porous monos: Ultra SL uptake.  Results in Engineering,      [PMID:] [10.1016/j.rineng.2025.108727]