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Dequalinium

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Identification
Molecular formula
C30H40N2O2
CAS number
522-51-0
IUPAC name
benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-diethyl-ammonium
State
State

Dequalinium chloride is typically a solid at room temperature. It is often found in medicinal or therapeutic forms, such as lozenges or tablets, specifically for its antibacterial and antiseptic properties.

Melting point (Celsius)
260.00
Melting point (Kelvin)
533.15
Boiling point (Celsius)
316.15
Boiling point (Kelvin)
589.30
General information
Molecular weight
456.66g/mol
Molar mass
456.5790g/mol
Density
1.1220g/cm3
Appearence

Dequalinium chloride typically appears as a white to off-white powder or crystalline solid. It may have a slight odor and is often used in the form of tablets or lozenges. When dissolved, it forms a clear solution.

Comment on solubility

Solubility of Benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-diethyl-ammonium

The solubility of benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-diethyl-ammonium can be influenced by several factors due to its complex structure. This compound is characterized by the presence of both hydrophobic and hydrophilic groups, which can lead to interesting solubility behavior.

Factors Influencing Solubility:

  • Polarity: The ammonium and phosphonate functionalities contribute significantly to the ion-dipole interactions with water, enhancing solubility.
  • Hydrophobic Interactions: The presence of benzyl groups introduces a degree of hydrophobicity, which may limit the overall solubility in pure aqueous systems.
  • Concentration Variability: Increased concentration can lead to variations in solubility as the interactions between solute molecules can influence the dissolution process.
  • Temperature: Generally, solubility increases with temperature; however, the specific response can be unique to this compound due to its complex nature.

In summary, while this compound exhibits a potential for solubility in polar solvents due to its ionic characteristics, the competing hydrophobic features may pose challenges in achieving high solubility. Experimentation and understanding of the environmental conditions are crucial for precise predictions about its solubility behavior.

Interesting facts

Interesting Facts About Benzyl-[3-[[[3-[Benzyl(diethyl)ammonio]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-diethyl-ammonium

This compound is a fascinating example of a complex quaternary ammonium compound with significant biological implications. Here are some intriguing insights into its nature:

  • Functionality: This compound features multiple functionalities due to the presence of both ammonium and phosphoryl groups, which can participate in various chemical reactions and biological interactions.
  • Biological Relevance: Quaternary ammonium compounds like this one are often studied for their role in drug delivery systems and as antimicrobial agents. Their ability to interact with cell membranes makes them effective in penetrating biological barriers.
  • Synthesis Challenges: The synthesis of such a complex molecule involves intricate steps that require careful control of reaction conditions, highlighting the importance of precision in organic synthesis.
  • Pharmacological Studies: Due to its structural features, this compound could potentially be explored for therapeutic applications, particularly in targeting specific cells or tissues effectively.
  • Multifunctional Activity: With diverse functional groups present, it opens avenues for modifications that could enhance its activity, selectivity, or reduce toxicity in various applications.

Overall, the study of benzyl-[3-[[[3-[benzyl(diethyl)ammonio]propylamino]-(4-methylphenoxy)phosphoryl]amino]propyl]-diethyl-ammonium exemplifies the synergy of organic chemistry and pharmacology, paving the way for advancements in medicinal chemistry. As one researcher put it, “The complexity of such compounds tests both our creativity and our scientific rigor, combining concepts from several disciplines into a single molecule.”