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Diallylbenzylbarbituric acid diethylammonium chloride

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Identification
Molecular formula
C20H28N3O3Cl
CAS number
1168-29-2
IUPAC name
2-(5,5-diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-diethyl-ammonium;chloride
State
State

The compound is in a solid state at room temperature, appearing as crystalline powder or compact crystals. It remains stable when stored in a dry, cool place, avoiding exposure to moisture.

Melting point (Celsius)
121.00
Melting point (Kelvin)
394.15
Boiling point (Celsius)
312.50
Boiling point (Kelvin)
585.65
General information
Molecular weight
398.91g/mol
Molar mass
398.9100g/mol
Density
1.2105g/cm3
Appearence

The compound is typically a crystalline solid, with a white or slightly off-white color. The crystals may vary in shape but are generally stable under normal conditions.

Comment on solubility

Solubility Overview

The compound 2-(5,5-diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-diethyl-ammonium chloride exhibits unique solubility characteristics due to its complex structure. This compound is categorized as a quaternary ammonium salt, which significantly influences its solubility profile.

Key Solubility Features:

  • Water Solubility: As a quaternary ammonium salt, it is generally soluble in water. The presence of the chlorine ion enhances its hydrophilicity.
  • Organic Solvents: The organic components, including alkyl chains, promote solubility in various organic solvents, making it versatile for different applications.
  • Temperature Dependence: The solubility may increase with temperature, allowing for better dissolution in heated water or organic solutions.
  • pH Influence: The solubility can be affected by the pH of the solution, as changes in pH may alter the ionic state of the amine moiety.

Overall, the solubility of this compound reflects a balance between hydrophilic and hydrophobic characteristics, which can be leveraged in formulating chemical applications efficiently. It's essential to consider the solubility properties not only for practical handling but also for optimizing its efficacy in various chemical processes.

Interesting facts

About 2-(5,5-Diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-diethyl-ammonium;chloride

This intriguing compound exhibits a unique structure, making it a notable subject of study in the field of chemistry. Here are some fascinating insights:

  • Complex Structure: The compound features a hexahydropyrimidine core, which is a bicyclic structure. This component is known for its biological activity and potential medicinal properties.
  • Quaternary Ammonium Compound: Being a quaternary ammonium salt, it possesses a positively charged nitrogen atom saturated with four organic groups. This structure is essential for its function as a surfactant and biocide in various applications.
  • Applications: Compounds in this class are used in numerous industries, including:
    • Antimicrobial agents
    • Phenotypic screening in drug discovery
    • Emulsifiers in cosmetic formulations
  • Potential Pharmacological Uses: Due to its structural features, this compound may show promise in pharmaceutical applications, particularly as a candidate for developing anti-inflammatory or anticancer drugs.
  • Structure-Activity Relationship: The presence of the allyl groups adds a layer of complexity to the structure. Research into how these modifications affect the compound's biological activity can pave the way for novel therapeutic agents.

In summary, 2-(5,5-diallyl-3-benzyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-diethyl-ammonium;chloride is much more than just a compound; it embodies the intersection of organic chemistry and potential therapeutic advancements. This compound serves as an excellent example of how intricate chemical frameworks can lead to significant scientific discoveries.

Synonyms
BARBITURIC ACID, 5,5-DIALLYL-1-BENZYL-3-(2-(DIETHYLAMINO)ETHYL)-, HYDROCHLORIDE
3625-21-6
BB 5