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PHMB (Polyhexamethylene biguanide)

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Identification
Molecular formula
C5H12N2O2C4
CAS number
32289-58-0
IUPAC name
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenyl-acetate
State
State

At room temperature, the compound is commonly solid.

Melting point (Celsius)
165.20
Melting point (Kelvin)
438.35
Boiling point (Celsius)
260.20
Boiling point (Kelvin)
533.35
General information
Molecular weight
522.66g/mol
Molar mass
522.6600g/mol
Density
1.2506g/cm3
Appearence

The compound typically appears as a colorless to pale yellow solid or crystalline powder. It is commonly used in aqueous solutions and may exhibit mild odour characteristics associated with amines.

Comment on solubility

Solubility of spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenyl-acetate

The solubility of the compound spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenyl-acetate (C5H12N2O2C4) can be influenced by several factors:

  • Ionic Character: As the compound contains a quaternary ammonium moiety, it exhibits ionic characteristics which tend to increase solubility in polar solvents like water, especially if ionized.
  • Hydrophilic Groups: The presence of the 2-hydroxy functional group enhances its affinity for water due to hydrogen bonding capabilities.
  • Hydrophobic Chains: Conversely, the diphenyl group can contribute to increased hydrophobicity, potentially reducing solubility in aqueous environments.
  • Temperature and pH: Solubility can also vary with temperature and the ionic strength of the solution, making it important to consider environmental conditions when testing solubility.

In conclusion, while it may exhibit moderate solubility due to its ionic behavior and hydrophilic components, the presence of hydrophobic groups must not be overlooked. Therefore, it is critical to evaluate the solubility in various conditions to obtain a comprehensive understanding.

Interesting facts

Interesting Facts about Spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenyl-acetate

This fascinating compound belongs to a class known as spirocyclic compounds, which are characterized by their unique, intertwined ring structures. Specifically, this compound exhibits intriguing properties due to the combination of nitrogen-containing rings and complex substituents.

Key Highlights:

  • Spirocyclic Architecture: The spiro structure introduces unique three-dimensional orientations that often lead to distinctive reactivity patterns and biological activities.
  • Bioactivity Potential: Many spirocyclic compounds have been found to possess significant pharmacological activities, making them a good subject for drug discovery research.
  • Diverse Applications: This compound may find use in various fields, including medicinal chemistry, material science, and agrochemicals.
  • Stability and Reactivity: The presence of both azabicyclic features and aromatic substituents can influence the stability and reactivity of the compound, providing ample room for synthetic exploration.

As a scientist or chemistry enthusiast, it's essential to appreciate the interplay of structure and function in such compounds. The complexity of spiro[8-azoniabicyclo[3.2.1]octane] systems can spark creativity in designing new materials and therapeutic candidates. As noted by researchers, "in the realm of synthetic chemistry, each new compound is a gateway to understanding intricate molecular interactions." This statement underscores the significance of studying compounds like this, as it expands our knowledge of chemical behavior and potential applications.

In summary, the exploration of spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-diphenyl-acetate opens up avenues for groundbreaking research that could pave the way for innovative solutions in science and industry.

Synonyms
Trosec
Flotros
10360-09-5
SCHEMBL724191
GTPL7480
CHEMBL1201344
SCHEMBL14009868
DTXSID001337915
STL483410
NS00010513
AB01563027_01
L001322
Q513396
3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8$l^{5}-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium
3-[(2-Hydroxy-2,2-diphenylacetyl)oxy]spiro[8-azoniabicyclo[3.2.1]octane-8,1a(2)-pyrrolidinium]
spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl 2-hydroxy-2,2-di(phenyl)acetate