Methylbenzethonium chloride

Base Information

• Chemical Name: Methylbenzethonium chloride
• CAS No.: 25155-18-4
• Molecular Formula: C28H44 N O2 . Cl
• Molecular Weight: 480.20
• Hs Code.: 2923900100
• European Community (EC) Number: 246-675-7
• NSC Number: 758427
• UNII: NN7590IUQX
• Wikidata: Q27284969
• NCI Thesaurus Code: C166792
• ChEMBL ID: CHEMBL1321398
• Mol file: 25155-18-4.mol

Synonyms:((((1,1,3,3-tetramethylbutyl)cresoxy)ethoxy)ethyl)dimethylbenzylammonium chloride;Bactine;benzyldimethyl(2-(2-(4-(1,1,3,3- tetramethylbutyl)-tolyloxy)ethoxy)ethyl) ammonium chloride;Diaparene;Hyamine;methylbenzethonium;methylbenzethonium chloride;methylbenzethonium chloride, monohydrate;methylbenzethonium hydroxide

Chemical Property of Methylbenzethonium chloride

Chemical Property:

• Melting Point: 161-163 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 18.46000
• Density: g/cm³
• LogP: 3.38480
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 461.3060573
• Heavy Atom Count: 32
• Complexity: 502

Purity/Quality:

99%, ^*data from raw suppliers

Methylbenzethonium chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-37/38-41
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
• Uses: Anti-infective,topical. Methylbenzethonium Chloride is an anti-leishmanial agent, in the treatment of leishmaniasis, a zoonotic infection affecting people in tropical regions.
• Clinical Use: Benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)tolyl]oxy]ethoxy]ethyl]ammonium chloride (Diaparene) is amixture of methylated derivatives of methylbenzethoniumchloride. It is used specifically for the treatment of diaperrash in infants, caused by the yeast Candida albicans, whichproduces ammonia. The agent is also used as a general antiseptic.Its properties are virtually identical to those of benzethoniumchloride.