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Bencyclane

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Identification
Molecular formula
C28H43Cl2N3O2
CAS number
5579-57-3
IUPAC name
(2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium
State
State

Bencyclane at room temperature is a solid, usually presented in its salt form for distribution and use in various applications.

Melting point (Celsius)
199.00
Melting point (Kelvin)
472.15
Boiling point (Celsius)
349.50
Boiling point (Kelvin)
622.65
General information
Molecular weight
497.57g/mol
Molar mass
497.5100g/mol
Density
1.1140g/cm3
Appearence

Bencyclane is typically found as a crystalline solid. It is often available as a hydrochloride salt in pharmaceutical formulations, which may appear as a white or off-white crystalline powder.

Comment on solubility

Solubility of (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium

The solubility of the complex compound (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium can be influenced by several factors, primarily its ionic nature and molecular structure. While specific solubility data may not be readily available, we can analyze several key aspects:

  • Ionic Characteristics: Being a quaternary ammonium compound, it exhibits strong ionic interactions which generally enhance solubility in polar solvents such as water.
  • Hydrophilicity versus Hydrophobicity: The presence of the diethylammonium and chlorophenyl groups may create a balance between hydrophilic and hydrophobic regions, potentially influencing overall solubility profiles.
  • Temperature Effects: As with many compounds, solubility may increase with temperature, allowing for greater dissolution in solvents at elevated temperatures.
  • pH Dependence: The solubility of ammonium compounds can also be pH-dependent, as changes in acidity can impact the ionization state and thus solubility.

Overall, while precise solubility values are not specified, the combination of ionic properties and structural components likely renders the compound fairly soluble in polar solvents. Understanding these factors is crucial for practical applications in biological and chemical processes.

Interesting facts

Interesting Facts about (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium

This complex chemical compound is not only intriguing in terms of its structure but also in its potential applications and properties. Here are some fascinating aspects worth noting:

  • Pharmaceutical Relevance: This compound is often explored in medicinal chemistry for its potential therapeutic uses, particularly in the area of neurology and psychiatry due to its ammonium groups, which may contribute to its interaction with neurotransmitter systems.
  • Structural Features: The presence of multiple functional groups, such as chlorophenyl and diethylammonium, adds layers of functionality and reactivity, making it a target for studies in chemical modifications and derivative synthesis.
  • Chirality: Due to the asymmetrical nature of some of the components in its structure, this compound may exist in different stereoisomeric forms, opening avenues for research into how the variations in structure can influence biological activity.
  • Reaction Mechanisms: Investigating the reaction pathways that this compound undergoes can provide insight into complex chemical mechanisms, including how it might be metabolized in biological systems.
  • Applications in Drug Design: Compounds like this one serve as valuable scaffolds in the rational design of new drugs. Understanding its interactions at the molecular level could lead to novel therapeutic agents.

Overall, (2-chlorophenyl)methyl-[3-[[2-[3-[(2-chlorophenyl)methyl-diethyl-ammonio]propylamino]-2-oxo-acetyl]amino]propyl]-diethyl-ammonium is a remarkable compound that exemplifies the intricate relationship between structure and function in chemistry. Its diverse properties and biological implications make it a captivating subject for ongoing research and exploration.