Cetrimide

Base Information

• Chemical Name: Cetrimide
• CAS No.: 1119-97-7
• Deprecated CAS: 114568-24-0,2222790-04-5
• Molecular Formula: C17H38N^.Br
• Molecular Weight: 350.426
• Hs Code.: 2923.90
• European Community (EC) Number: 214-291-9,617-073-5
• UNII: 8483H94W1E
• DSSTox Substance ID: DTXSID0044367
• Wikidata: Q27106133
• NCI Thesaurus Code: C72649
• RXCUI: 288088
• ChEMBL ID: CHEMBL113150
• Mol file: 1119-97-7.mol

Synonyms:1-hexadecyltrimethylammonium chloride;Cetavlon;cetrimide;cetriminium;cetrimonium;cetrimonium bromide;cetrimonium chloride;cetrimonium hydroxide;cetrimonium iodide;Cetrimonium Methosulfate;cetrimonium methyl sulfate;cetrimonium monosulfate;cetyltrimethylammonium bromide;cetyltrimethylammonium chloride;CTAB;CTAOH;hexadecyl trimethyl ammonium bromide;hexadecyl(trimethyl)azanium;hexadecyltrimethylammonium bromide;hexadecyltrimethylammonium octylsulfonate;HTAB cpd;Octylsulfonate, Hexadecyltrimethylammonium

Chemical Property of Cetrimide

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 245-250 °C
• Refractive Index: 1.5260 (estimate)
• PSA: 0.00000
• Density: 1.1328 (rough estimate)
• LogP: 2.39770
• Storage Temp.: +2C to +8C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 10 % (w/v)
• Water Solubility.: 20 g/100 mL
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 335.21876
• Heavy Atom Count: 19
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

MitMAB ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
• Physical properties: Cetrimide is a white fine powder crystal with a melting point of 245°C to 250°C. A rough estimate of its density is 1.1328. It is soluble in water with a solubility of 20 g/100 mL.
• Description: MiTMAB (1119-97-7) is a dynamin I/II inhibitor targeting the dynamin-phospholipid interaction and inhibiting dynamin GTPase activity with a Ki=940nM.1 Rapidly and reversibly inhibits multiple forms of endocytosis with no acute cellular damage1. A useful pharmacological tool for studying dynamin-mediated trafficking events.2 Induces cytokinesis failure and apoptosis in human cancer cells.3 Induces cytoprotective autophagy in human Jurkat T cells.4
• Uses: Disinfectant; deodorant; laboratory reagent. Myristyltrimethylammonium has been used in a study to assess a surfactant-controlled synthetic method to obtain a nanophase of mesoporous ceria-zirconia solid solution containing cationic defects in the crystalline structure.??It has also been used in a study to determine the low molecular weight of organic acids in soils and plants by capillary zone electrophoresis.

Technology Process of Cetrimide

There total 4 articles about Cetrimide 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: 74.0%

1-Bromotetradecane (112-71-0) + trimethylamine (75-50-3) → cetyltrimethylammonium bromide (1119-97-7)

Guidance literature:

at 0 ℃; for 24h;

DOI:10.1002/jlcr.1035

Reference yield:

4-(4-Dimethylamino-phenylazo)-benzenesulfonatetrimethyl-tetradecyl-ammonium; → methyl orange (547-58-0) + cetyltrimethylammonium bromide (1119-97-7)

Guidance literature:

With sodium bromide; at 19.9 ℃; Equilibrium constant; var. temps.;

DOI:10.1246/bcsj.66.2457

Reference yield:

→ cetyltrimethylammonium bromide (1119-97-7)

Guidance literature:

DOI:10.1021/ja01018a036

upstream raw materials:

1-Bromotetradecane

trimethylamine

pentadecyl bromide

Downstream raw materials:

tetradecyltrimethylammonium salicylate

methyl bromide

ortho-nitrofluorobenzene

tetradecyltrimethylammonium hydroxide

Refernces

• 1、 Dai, Kotaro,Nomoto, Kuniharu,Ueno, Shinji,Tomono, Kazuaki,Miyamura, Kazuo. "Odd-even effect and unusual behavior of dodecyl-substituted analogue observed in the crystal structure of alkyltrimethylammonium-[Ni(dmit) 2]- salts". experimental part. p. 312 - 319. Retrieved 2011/05/13.
• 2、 Davey, Tim W.,Hayman, Alan R.. "Synthesis of ω-hydroxy quaternary ammonium bolaform surfactants". . p. 581 - 586. Retrieved 2007/10/03.