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Benzethonium bromide

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Identification
Molecular formula
C27H42Br2N2O2
CAS number
121-54-0
IUPAC name
benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium;dibromide
State
State

At room temperature, benzethonium bromide is a solid.

Melting point (Celsius)
163.00
Melting point (Kelvin)
436.15
Boiling point (Celsius)
258.00
Boiling point (Kelvin)
531.15
General information
Molecular weight
624.36g/mol
Molar mass
624.3950g/mol
Density
1.0800g/cm3
Appearence

Benzethonium bromide appears as a white crystalline powder. It is often found in solid form for application in healthcare and personal care products.

Comment on solubility

Solubility of Benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium;dibromide

The solubility of benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium;dibromide can be understood through various influential factors:

  • Polar vs Nonpolar: Due to the presence of quaternary ammonium moieties and the dibromide counterion, this compound exhibits significant polarity, which generally enhances solubility in polar solvents such as water.
  • Hydrogen Bonding: The amino groups in the compound can participate in hydrogen bonding, potentially increasing solubility in polar solvents by facilitating interactions with solvent molecules.
  • Chain Length: The length of the alkyl chains present in the ammonio groups may impact solubility; shorter chains typically favor higher solubility in water compared to longer alkyl chains, which would lean towards hydrophobic behavior.
  • Temperature Effects: As with many ionic compounds, solubility may increase with temperature, allowing for enhanced interactions in active dissolution scenarios.

In summary, while the compound is likely soluble in aqueous environments due to its ionic nature and the presence of polar functional groups, testing under specific conditions is essential to determine exact solubility properties. As emphasized, "the interplay of structure and solvent characteristics is critical in predicting solubility behavior." Further experimentation and analysis are needed to fully elucidate its solubility profile.

Interesting facts

Interesting Facts about Benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium;dibromide

This compound is a fascinating example of complex organic chemistry and showcases the interplay between different functional groups, presenting intriguing properties and potential applications. Here are some noteworthy aspects:

  • Phosphoryl Group: The presence of a phosphoryl group indicates potential biological significance. Compounds with phosphoryl moieties often exhibit activities associated with signal transduction in cellular processes.
  • Quaternary Ammonium Features: The compound contains quaternary ammonium ions, which are known for their surfactant properties. These can help in solubilizing nonpolar compounds in aqueous environments, making them useful in drug delivery systems.
  • Biocompatibility: Given its structure, this compound is a candidate for research in biomedicine, particularly in the fields of drug formulation. Its ability to interact with biological membranes could open avenues for therapeutic applications.
  • Complexity and Synthesis: The synthesis of this compound involves multiple steps and careful control of reagents. Each segment of the molecule contributes to its overall functionality, making it a fine example of synthetic organic chemistry.
  • Research Potential: Compounds like this can play vital roles in studying enzyme actions or as potential inhibitors due to the strategic placement of different functional groups.

As Dr. Marie Curie once said, “Nothing in life is to be feared, it is only to be understood.” This compound serves as a reminder of the beauty of chemical complexity and its vast potential in advancing science and technology.

In summary, the intricate structure of benzyl-[3-[[[3-[benzyl(dimethyl)ammonio]propylamino]-(4-nitrophenoxy)phosphoryl]amino]propyl]-dimethyl-ammonium;dibromide not only reflects advanced synthetic strategies but also underscores the enormous possibilities of organic chemistry in applied sciences.

Synonyms
(Phosphinicobis(iminotrimethylene))bis(benzyldimethylammonium bromide) p-nitrophenyl ester
H.C. 9010
21078-16-0
Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, p-nitrophenyl ester
RefChem:319114
DTXSID00943387
3,3'-{[(4-Nitrophenoxy)phosphoryl]diazanediyl}bis(N-benzyl-N,N-dimethylpropan-1-aminium) dibromide