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Bisquaternary Ammonium Compound

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Identification
Molecular formula
C33H49N3O4
CAS number
18621-17-5
IUPAC name
(2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium
State
State

At room temperature, the compound is a solid. It remains stable in typical environmental conditions and is non-volatile.

Melting point (Celsius)
154.00
Melting point (Kelvin)
427.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
572.81g/mol
Molar mass
572.8130g/mol
Density
1.3725g/cm3
Appearence

The compound typically appears as a white crystalline solid. It is usually found in a highly pure state and forms distinct crystalline structures.

Comment on solubility

Solubility of (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium

This complex compound presents an interesting profile concerning solubility, influenced by its structural aspects and functional groups. The solubility of (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium can be summarized in several key points:

  • Polarity: The presence of multiple functional groups, such as the hydroxyl (-OH) and cyano (-CN) groups, enhances polarity.
  • Ionization: Given the ammonium component, the compound may ionize in aqueous solution, which typically increases solubility in polar solvents.
  • Hydrophilicity vs. Hydrophobicity: While some parts of the molecule are hydrophilic due to the ionic and polar groups, other sections could contribute to hydrophobic properties, complicating solubility in purely polar or non-polar solvents.
  • Temperature Dependence: Like many compounds, solubility may vary with temperature, potentially increasing in warmer solvents.
  • Effects of pH: The acidic or basic nature of the solvent may affect the ionization and hence the solubility of the compound.

In summary, the solubility of this compound is likely to be highly variable, influenced by external factors such as solvent type and environmental conditions. As noted, the complex interplay between hydrophilic and hydrophobic features makes predicting absolute solubility challenging but intriguing.

Interesting facts

Interesting Facts about (2-cyano-2-hydroxy-cyclohexyl)methyl-[2-[4-[4-[2-[(2-cyano-2-hydroxy-cyclohexyl)methyl-dimethyl-ammonio]-2-oxo-ethyl]phenyl]phenyl]acetyl]-dimethyl-ammonium

This compound stands out as a fascinating example of both structural complexity and potential utility in various fields of research. Here are some engaging insights into this intricate molecule:

  • Complex Structure: The presence of multiple functional groups and cyclic structures makes it an interesting subject for studies in organic synthesis and medicinal chemistry.
  • Cyanohydrin Moiety: The cyano and hydroxy groups suggest potential reactions, including the formation of new bonds, highlighting its versatility in organic reactions.
  • Ammonium Features: The dimethylammonio group enhances the compound's ionic character, which can influence its interactions in biological environments.
  • Potential Applications: Given its unique structure, this compound could be investigated for uses in pharmaceuticals, particularly in developing drugs targeting specific pathways.
  • Research Opportunities: Its complex nature opens doors for numerous research avenues, from studying its reactivity to exploring its potential therapeutic effects.

As chemists delve deeper, it is exciting to ponder the undiscovered properties and applications of this compound. The intricate design serves as a reminder of the beauty and complexity of chemical compounds, encouraging both curiosity and innovation in the field.