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Benzethonium chloride trihydrate

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Identification
Molecular formula
C21H38Cl2N2O3
CAS number
614-56-6
IUPAC name
3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium;dichloride;trihydrate
State
State

At room temperature, Benzethonium chloride trihydrate is typically in a solid state, appearing as a white crystalline powder.

Melting point (Celsius)
128.00
Melting point (Kelvin)
401.15
Boiling point (Celsius)
285.00
Boiling point (Kelvin)
558.15
General information
Molecular weight
448.44g/mol
Molar mass
448.0000g/mol
Density
1.0800g/cm3
Appearence

Benzethonium chloride trihydrate appears as a white crystalline powder. It is known for its high solubility in water and has a slight aromatic odor.

Comment on solubility

Solubility of 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium;dichloride;trihydrate

This compound, which features a complex structure including an azabicyclic moiety, presents interesting solubility characteristics. The solubility can be influenced by several factors, including:

  • Polarity: The presence of quaternary ammonium groups enhances the polarity of the molecule, which often correlates with increased solubility in polar solvents such as water.
  • Hydration: The 'trihydrate' indicates the presence of three water molecules of hydration, suggesting that this compound can readily dissolve in aqueous solutions.
  • Ionization: The dichloride form suggests that the compound dissociates in solution, contributing to its solubility as the ions may interact favorably with the solvent.

In general, compounds with quaternary ammonium groups and hydrated forms tend to have high solubility in water. As such, it would be expected that 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium;dichloride;trihydrate is:

  • High solubility in water, facilitating applications in biological and chemical contexts.
  • Potential instability in organic solvents, depending on the polarity of the solvent used.

Consequently, the solubility of this compound can play a crucial role in its functionality and behavior in various chemical environments.

Interesting facts

Interesting Facts About 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium; dichloride; trihydrate

This compound, known as a quaternary ammonium salt, is part of an intriguing class of organic substances characterized by their positively charged nitrogen atom. Here are some fascinating aspects:

  • Structural Complexity: The compound features a bicyclic structure, which contributes to its unique chemical properties and biological activities. The presence of the benzyl and diethyl components enhances its hydrophobic characteristics, while the azoniabicyclic portion can interact with biological membranes.
  • Antimicrobial Activity: Many quaternary ammonium compounds are known for their antimicrobial properties, making them valuable in various applications, including disinfectants and antiseptics. Their ability to disrupt microbial cell membranes is a key mechanism of action.
  • Versatile Applications: This compound may have potential uses in drug development and chemical synthesis due to its unique structure. The flexibility of its functional groups allows for modifications that can tailor its reactivity or biological activity.
  • Research Significance: As a subject of ongoing research, compounds like this one are investigated for their roles in medicinal chemistry. Scientists are continually exploring how structural variations can affect their pharmacological profiles.
  • Historical Context: Quaternary ammonium compounds have been studied since the mid-20th century, gaining significant interest as biocides and surfactants, which demonstrates their evolution in industrial applications.

In summary, the study of 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium; dichloride; trihydrate exemplifies the intricacies of chemistry and the potential for innovative solutions in various scientific fields. As we continue to explore such compounds, we unlock new possibilities for medicine, industry, and beyond.

Synonyms
23462-16-0
3-Benzyl-9-(3-(diethylamino)propyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate
3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-(diethylamino)propyl)-, hydrochloride, hydrate (1:3:3)
RefChem:272786