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CAS 115-63-9

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Hexocyclium methylsulfate

Description:
Hexocyclium methylsulfate, with the CAS number 115-63-9, is a quaternary ammonium compound primarily used as a pharmaceutical intermediate and in various chemical applications. It is characterized by its cationic nature, which contributes to its solubility in water and organic solvents. The compound typically appears as a white crystalline solid or powder and is known for its stability under standard conditions. Hexocyclium methylsulfate exhibits antimicrobial properties, making it useful in formulations requiring bactericidal or fungicidal effects. Additionally, it can act as a surfactant, influencing surface tension and enhancing the wetting properties of solutions. Safety data indicates that, like many quaternary ammonium compounds, it may cause irritation upon contact with skin or eyes and should be handled with appropriate precautions. Its applications extend to the fields of medicine, agriculture, and industrial processes, where it serves as a versatile agent in various formulations.
Formula:C21H36N2O5S
InChI:InChI=1/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;
InChI key:InChIKey=NSILVESQCSUIAJ-UHFFFAOYSA-M
SMILES:S(OC)(=O)(=O)[O-].C(CN1CC[N+](C)(C)CC1)(O)(C2CCCCC2)C3=CC=CC=C3
Synonyms:
  • 1-Cyclohexyl-2-(4,4-Dimethylpiperazin-4-Ium-1-Yl)-1-Phenyl-Ethanol
  • 4-(2-Cyclohexyl-2-Hydroxy-2-Phenylethyl)-1,1-Dimethylpiperazin-1-Ium Methyl Sulfate
  • 4-(beta-Cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinium methylsulfate
  • 4-(beta-Cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinum methylsulfate
  • 4-(β-Cyclohexyl-β-hydroxy-β-phenethyl)-1,1-dimethylpiperazinum methyl sulfate
  • 4-(β-Cyclohexyl-β-hydroxyphenethyl)-1,1-dimethylpiperazinium methylsulfate
  • Ab 803
  • Ama-De 1973
  • Hexacyclium methyl sulfate
  • Hexocyclii metilsulfas
  • See more synonyms
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