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Cetrimonium chloride

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Identification
Molecular formula
C19H34ClNO2
CAS number
112-02-7
IUPAC name
[3-(carboxymethylcarbamoyl)-4-octoxy-phenyl]ammonium;chloride
State
State

At room temperature, Cetrimonium chloride is typically in a solid state but can also be found as a liquid in certain formulations. It is commonly used in hair conditioners and other personal care products.

Melting point (Celsius)
37.50
Melting point (Kelvin)
310.65
Boiling point (Celsius)
113.20
Boiling point (Kelvin)
386.35
General information
Molecular weight
320.93g/mol
Molar mass
320.0000g/mol
Density
0.9845g/cm3
Appearence

Cetrimonium chloride typically appears as a white, waxy solid or as a clear to pale yellow liquid, depending on its specific formulation and purity. When formulated as a liquid, it may appear slightly viscous.

Comment on solubility

Solubility of [3-(carboxymethylcarbamoyl)-4-octoxy-phenyl]ammonium;chloride

The solubility of [3-(carboxymethylcarbamoyl)-4-octoxy-phenyl]ammonium;chloride can be influenced by various factors, including its chemical structure and polarity. Here are some key aspects to consider:

  • Polarity: The presence of both a quaternary ammonium group and a carboxymethyl group typically enhances the polar nature of the compound, which suggests improved solubility in polar solvents, such as water.
  • Ionic Nature: Being a chloride salt, it is likely to dissociate into ions when dissolved, which usually increases solubility.
  • Interactions: The functional groups present can engage in strong hydrogen bonding with solvent molecules, leading to increased solubility.
  • Solvent Effects: Appreciate that the solubility may vary significantly in different solvents; it could be more soluble in some organic solvents compared to water.

In conclusion, while one can anticipate a reasonable solubility in polar solvents due to its ionic and polar character, detailed empirical data would be required to characterize its solubility behavior in specific contexts. Always keep in mind that the actual conditions can affect solubility markedly!

Interesting facts

Interesting Facts About [3-(Carboxymethylcarbamoyl)-4-octoxy-phenyl]ammonium; Chloride

[3-(Carboxymethylcarbamoyl)-4-octoxy-phenyl]ammonium chloride is a fascinating chemical compound that captures the interest of scientists and students alike due to its unique characteristics and potential applications. Here are some engaging facts about this compound:

  • Functional Groups: This compound features a variety of functional groups, including a carboxymethyl functional group and an ammonium group. These functional groups play a significant role in the compound’s reactivity and interaction with other molecules.
  • Biological Significance: Compounds similar to this one are often explored for their potential biological activities. Research in medicinal chemistry may uncover applications related to drug delivery systems or antimicrobial properties.
  • Surfactant Properties: The presence of an octoxy group suggests that this compound may exhibit surfactant properties, making it useful in applications such as emulsification and stabilization in various industrial processes.
  • Synthesis Pathways: Understanding the synthesis of this compound can be a great learning experience for chemistry students. The various routes to create such a compound often involve multiple reaction steps, showcasing concepts such as nucleophilic substitution and esterification.
  • Analytical Techniques: Investigating this compound offers opportunities to apply various analytical techniques, such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy, which are essential in confirming structural integrity and purity.

As scientists continue to explore the potential uses and properties of [3-(carboxymethylcarbamoyl)-4-octoxy-phenyl]ammonium chloride, it exemplifies the intricate connections between molecular structure and functionality.

Synonyms
HIPPURIC ACID, 5-AMINO-2-(OCTYLOXY)-, HYDROCHLORIDE
M & B 9489
13738-14-2
5-Amino-2-(octyloxy)hippuric acid hydrochloride
[3-(carboxymethylcarbamoyl)-4-octoxyphenyl]azanium;chloride