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Chlorhexidine

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Identification
Molecular formula
C22H30Cl2N10
CAS number
55-56-1
IUPAC name
4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine
State
State

Chlorhexidine in its solid state is a crystalline powder at room temperature. It is stable under normal conditions and does not easily volatilize.

Melting point (Celsius)
134.00
Melting point (Kelvin)
407.15
Boiling point (Celsius)
158.00
Boiling point (Kelvin)
431.15
General information
Molecular weight
505.45g/mol
Molar mass
505.4510g/mol
Density
1.3000g/cm3
Appearence

Chlorhexidine typically appears as a white to pale yellow crystalline powder. It is odorless and is known for its antiseptic properties. It might appear off-white when impurities are present but in its pure form, it maintains a bright, clean appearance.

Comment on solubility

Solubility of 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine

The solubility of 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine can be quite complex due to its intricate molecular structure and functional groups. Understanding its solubility characteristics requires breaking down several factors:

  • Polar and Nonpolar Interactions: The presence of polar groups, such as amino and carbamimidoyl, can enhance solubility in polar solvents like water.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds with the solvent can significantly improve its solubility. Compounds rich in amine and amide functionalities often show increased solubility due to strong interactions with water.
  • Temperature Effects: Solubility may also be impacted by temperature; as temperature increases, the solubility of many compounds also increases. Hence, experimental conditions should be controlled.
  • pH Dependency: The solubility of this compound may vary with pH changes due to the ionization of the amino and imine groups, which can enhance solubility in basic or acidic environments.

Generally, compounds with multiple functional groups can exhibit varying solubility across different solvents. Therefore, it is crucial to perform solubility tests and refer to specific solvent systems to obtain a comprehensive understanding of this compound's behavior in solution.

Interesting facts

Interesting Facts About 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine

This compound represents a fascinating intersection of organic chemistry and medicinal science. As a derivative of piperazine, it showcases the versatility of piperazine-based structures in pharmaceuticals. Below are some intriguing aspects of this compound:

  • Bioactivity: Compounds like this one are often designed with specific biological activities in mind. They can act as inhibitors or modulators in various biochemical pathways, potentially offering therapeutic benefits in treating diseases.
  • Structure-Activity Relationship (SAR): The structural complexity of this compound leads to an interesting SAR. Changes in various functional groups can significantly affect biological activity. Understanding the interplay of these components can guide synthetic and medicinal chemists in drug design.
  • Targeted Drug Delivery: The presence of the chloroaniline and carbamimidoyl groups in the compound may improve its selectivity for certain targets, leading to more effective drug delivery systems with fewer side effects.
  • Chemical Reactivity: The multiple amino groups in the compound provide numerous sites for potential chemical reactions, making it a valuable compound in synthetic organic chemistry to explore diverse reactions and mechanisms.
  • Research Applications: This compound's unique structure offers great potential in research, especially in enzyme inhibition studies, medicinal chemistry, and the development of new therapeutic agents.

As the field of chemistry advances, the exploration of such complex compounds continues to reveal new dimensions in their utility and effectiveness. The challenge and excitement lie in unraveling the specific mechanisms through which these compounds operate, potentially leading to groundbreaking innovations in medicine.