Docosyltrimethylammonium chloride

Base Information

• Chemical Name: Docosyltrimethylammonium chloride
• CAS No.: 17301-53-0
• Deprecated CAS: 440339-48-0,57762-94-4
• Molecular Formula: C₂₅H₅₄N*Cl
• Molecular Weight: 404.163
• Hs Code.: 2923.90
• European Community (EC) Number: 241-327-0,926-569-3
• UNII: X7GNG3S47T
• DSSTox Substance ID: DTXSID60884964
• Wikipedia: Behentrimonium_chloride
• Wikidata: Q4880765
• RXCUI: 1311160
• Mol file: 17301-53-0.mol

Synonyms:17301-53-0;N,N,N-Trimethyldocosan-1-aminium chloride;Behentrimonium chloride;Docosyltrimethylammonium chloride;docosyl(trimethyl)azanium;chloride;behenyl trimethyl ammonium chloride;UNII-X7GNG3S47T;X7GNG3S47T;N,N,N-Trimethyl-1-docosanaminium chloride;1-Docosanaminium, N,N,N-trimethyl-, chloride;EINECS 241-327-0;1-Docosanaminium, N,N,N-trimethyl-, chloride (1:1);BEHENTRIMONIUM;GENAMIN BTLF;Behenyltrimonium chloride;SCHEMBL29661;docosyltrimethylammoniumchloride;docosyltrimethylazanium chloride;behenyltrimethylammonium chloride;Trimethylbehenylammonium chloride;VARISOFT BT 85 PELLETS;DTXSID60884964;INCROQUAT BEHENYL TMC-85;AMY13773;MFCD09744670;BEHENTRIMONIUM CHLORIDE [INCI];AKOS015914128;DS-2797;N-Docosyl-N,N,N-trimethylammonium chloride;CS-0188183;A881816;Q4880765;W-108991

Chemical Property of Docosyltrimethylammonium chloride

Chemical Property:

• Appearance/Colour: light yellow flakes
• PSA: 0.00000
• LogP: 5.51850
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 21
• Exact Mass: 403.3944784
• Heavy Atom Count: 27
• Complexity: 253

Purity/Quality:

80% ^*data from raw suppliers

N,N,N-Trimethyldocosan-1-aminium chloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• Uses: Behentrimonium Chloride is used as an antistatic agent and, sometimes, a disinfectant. It is commonly found in cosmetics such as conditioners, hair dye, and mousse, and also in detergents.

Technology Process of Docosyltrimethylammonium chloride

There total 1 articles about Docosyltrimethylammonium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ behentrimonium chloride (17301-53-0)

Guidance literature:

Reference yield: 92.0%

methyl 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino] carbonyl]amino]sulfonyl]benzoate sodium salt (144550-36-7) + behentrimonium chloride (17301-53-0) → docosyltrimethylammonium ((5-iodo-2-(methoxycarbonyl)phenyl)sulfonyl)((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)amidate

Guidance literature:

In water; at 40 ℃;

DOI:10.3390/molecules26154396

Refernces