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Benzalkonium Chloride

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Identification
Molecular formula
C27H42ClNO2
CAS number
8001-54-5
IUPAC name
diaminomethylene-[3-(4-hydroxybenzoyl)oxypropyl]ammonium;chloride
State
State

Benzalkonium Chloride at room temperature typically presents as a solid or a slightly viscous liquid, depending on its form and concentration. It is soluble in water and alcohol.

Melting point (Celsius)
-48.50
Melting point (Kelvin)
224.65
Boiling point (Celsius)
187.00
Boiling point (Kelvin)
460.15
General information
Molecular weight
340.00g/mol
Molar mass
340.0000g/mol
Density
0.9810g/cm3
Appearence

Benzalkonium Chloride typically appears as a white or slightly yellow amorphous solid or powder. It can also appear in the form of an oily, colorless liquid depending on the formulation. The compound may have a slightly waxy texture.

Comment on solubility

Solubility of Diaminomethylene-[3-(4-hydroxybenzoyl)oxypropyl]ammonium; Chloride

The solubility of diaminomethylene-[3-(4-hydroxybenzoyl)oxypropyl]ammonium chloride can be quite fascinating, as it may depend on several factors including temperature, pH, and solvent choice. Here are some key points to consider:

  • Polarity: The presence of hydroxyl groups often increases the polarity of a compound, leading to enhanced solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl functional group can form hydrogen bonds with water, promoting solubility.
  • Temperature Dependence: Increased temperature typically enhances solubility due to greater molecular motion.
  • pH Influence: The solubility might vary with changes in pH, particularly if the compound interacts with protons, thereby altering its charge state.

Overall, while this compound is expected to have decent solubility in aqueous mediums thanks to its ionic characteristics and polar functional groups, empirical testing would be essential to determine the exact solubility parameters.

Interesting facts

Interesting Facts about Diaminomethylene-[3-(4-hydroxybenzoyl)oxypropyl]ammonium Chloride

This compound is a fascinating example of a quaternary ammonium salt, which finds applications in various fields, particularly in biochemistry and pharmaceutical sciences. Here are some interesting points to consider:

  • Biological Relevance: Compounds like this one are often studied for their antimicrobial properties, which can be vital in developing new pharmaceuticals.
  • Functional Groups: The presence of both amine and hydroxyl groups in the structure allows for diverse chemical reactivity, making it an interesting candidate for further derivatization.
  • Drug Development: The structure suggests potential applications in drug delivery systems due to its ability to interact with various biological targets.
  • Synthetic Pathway: The synthesis of this compound can be a rich area of investigation, often involving multi-step reactions that are useful for training in organic synthesis.
  • Hydrophobic and Hydrophilic Balance: The combination of hydrophilic (the ammonium group) and hydrophobic (the benzoyl moiety) elements can influence the compound's behavior in biological systems, impacting absorption and efficacy.

As a chemistry student or scientist, one might say, "The study of such compounds opens up a world of possibilities in medicinal chemistry, allowing us to design molecules that can selectively target specific biological pathways."

In summary, diaminomethylene-[3-(4-hydroxybenzoyl)oxypropyl]ammonium chloride is not just a complex structure; it represents a specific intersection of organic chemistry, pharmacology, and potential therapeutic innovation.

Synonyms
3-(p-Hydroxy-benzoyloxy)propylguanidine hydrochloride
19623-22-4
HM-203
p-Hydroxybenzoic acid ester with (3-hydroxypropyl)guanidine hydrochloride
Benzoic acid, p-hydroxy-, ester with (3-hydroxypropyl)guanidine, monohydrochloride