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Benzethonium chloride

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Identification
Molecular formula
C27H42ClNO2
CAS number
121-54-0
IUPAC name
N-[4-chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxo-ethyl)amino]methyl]phenyl]benzamide;chloride
State
State

At room temperature, benzethonium chloride is generally found in a solid state, either as a crystalline powder or granules. In some formulations, it may be present in a dissolved state usually in a liquid solution as used in personal care and cleaning products.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.00
Boiling point (Celsius)
275.00
Boiling point (Kelvin)
548.00
General information
Molecular weight
446.02g/mol
Molar mass
446.0230g/mol
Density
1.1500g/cm3
Appearence

Benzethonium chloride typically appears as a white, odorless crystalline powder. It is often available in a hydrated form which can appear slightly off-white to white and is used commonly in personal care products such as antiperspirants, deodorants, and as a preservative.

Comment on solubility

Solubility of N-[4-chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxo-ethyl)amino]methyl]phenyl]benzamide;chloride

The solubility of the compound N-[4-chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxo-ethyl)amino]methyl]phenyl]benzamide;chloride is influenced by its complex structure, featuring both hydrophilic and hydrophobic regions. Here’s what can be said about its solubility:

  • Ionic Character: The presence of the chloride ion indicates that the compound may possess some ionic properties, which can enhance its solubility in polar solvents like water.
  • Hydrophilic Groups: The morpholine group contributes to hydrophilicity, likely increasing the solubility in aqueous environments.
  • Hydrophobic Regions: However, the aromatic systems in its structure may resist dissolution in polar solvents, suggesting limited solubility.
  • Temperature Effects: Solubility may also vary with temperature; higher temperatures often lead to increased solubility for many compounds.

In general, the solubility profile may yield a compound that is only moderately soluble in water, but could potentially dissolve better in organic solvents. As noted by chemists, "The nature of substituents and the molecular geometry play a crucial role in solvation." Therefore, exploring various solvents and conditions would be essential to fully characterize its dissolution behavior.

Interesting facts

Interesting Facts about N-[4-Chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxo-ethyl)amino]methyl]phenyl]benzamide; Chloride

This compound is a fascinating member of the amide family, featuring a complex structure that combines aromatic systems with a morpholine ring. Here are some key points to consider:

  • Pharmaceutical Relevance: Compounds like this often play an important role in medicinal chemistry, where they can exhibit biological activity. They might function as potential drug candidates targeting various diseases.
  • Multi-functional Groups: The presence of both a chloro group and a morpholine ring indicates its potential for diverse interactions, making it useful in various chemical reactions and applications.
  • Structure-Activity Relationships (SAR): Researchers often study how changes in the structure of similar compounds affect their biological activity. This particular compound could serve as a great model for SAR studies due to its intricate design.
  • Ionization Properties: The inclusion of the morpholine moiety may lead to interesting ionization behavior in biological systems, affecting how the compound interacts with cellular targets.
  • Research Opportunities: As an interesting construct for synthetic organic chemistry, the compound can be a starting point for the development of new derivatives with enhanced therapeutic profiles.

In summary, N-[4-chloro-2-[[methyl-(2-morpholin-4-ium-4-yl-2-oxo-ethyl)amino]methyl]phenyl]benzamide; chloride serves as a compelling example of contemporary research topics in the field, offering intriguing insights into the design and synthesis of complex molecules for pharmaceutical purposes. As you explore its features, remember that each component of its molecular architecture could unlock new avenues in drug development.