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Dequalinium chloride

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Identification
Molecular formula
C30H40Cl2N2O2
CAS number
522-51-0
IUPAC name
1-chloro-3-[12-(3-chloro-2-hydroxy-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol;dichloride
State
State

At room temperature, Dequalinium chloride is a solid. It is often used in its salt form due to its enhanced stability and solubility characteristics.

Melting point (Celsius)
167.00
Melting point (Kelvin)
440.00
Boiling point (Celsius)
376.00
Boiling point (Kelvin)
649.00
General information
Molecular weight
408.59g/mol
Molar mass
408.5930g/mol
Density
1.0021g/cm3
Appearence

Dequalinium chloride typically appears as a white or off-white crystalline powder. It is hygroscopic, meaning it can absorb moisture from the environment, which may affect its appearance over time.

Comment on solubility

Solubility of 1-chloro-3-[12-(3-chloro-2-hydroxy-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol;dichloride

The compound 1-chloro-3-[12-(3-chloro-2-hydroxy-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol;dichloride exhibits interesting solubility characteristics that reflect its complex structure. The solubility of such compounds can often vary based on a multitude of factors, including the following:

  • Polarity: The presence of polar functional groups, such as hydroxyl (-OH) or quaternary ammonium groups, typically enhances solubility in polar solvents like water.
  • Hydrophilic vs. Hydrophobic Balance: The balance between hydrophilic (water-attracting) and hydrophobic (water-repelling) parts of the molecule plays a crucial role in solubility. This compound's complex structure may lead to a varying degree of solubility based on these opposing characteristics.
  • Temperature Effects: Solubility may also change with temperature. In general, solubility tends to increase with temperature for most solids and liquids.

Given the intricate nature of this compound, it is important to note that it may show:

  • A significant solubility in polar solvents due to its numerous polar sites.
  • Limited solubility in non-polar solvents, aligning with the expectations for compounds with extensive polar functionality.

In summary, while *1-chloro-3-[12-(3-chloro-2-hydroxy-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol;dichloride* might be expected to engage well with polar environments, its actual solubility will ultimately depend on the specific conditions and the interactions with the solvent used. Understanding these solubility dynamics can greatly influence application and handling in various chemical contexts.

Interesting facts

Interesting Facts about 1-chloro-3-[12-(3-chloro-2-hydroxy-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol; dichloride

This complex compound, known as a quaternary ammonium compound, exhibits intriguing properties and notable applications in various fields. Here are some interesting aspects to consider:

  • Functional Groups and Structure: The presence of multiple functional groups, including the –Cl and –OH groups, enhances the compound's reactivity and versatility, opening pathways to various applications in synthesis and formulation.
  • Biological Relevance: Compounds with similar structures are well-known for their biological activities. Their unique arrangement of nitrogen atoms and substituted chains may exhibit antimicrobial and antifungal properties, making them of interest in pharmaceuticals.
  • Surfactant Potential: Due to its amphiphilic nature, this compound could be effective in reducing surface tension, making it suitable for use as a surfactant in personal care products and industrial applications.
  • Research Opportunities: The complex structural framework provides a rich platform for further research. Scientists might explore its intricate pathways through medicinal chemistry to develop new drug formulations.
  • Chirality and Stereochemistry: The compound's structure can introduce aspects of chirality, allowing for the exploration of stereochemical-based properties that could influence biological interactions.

In summary, the multifaceted nature of 1-chloro-3-[12-(3-chloro-2-hydroxy-propyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol; dichloride highlights its potential for innovative applications in science and industry. As an emerging entity in the chemical landscape, it encourages extensive study and offers opportunities for significant advancements in both chemistry and biotechnology.

Synonyms
Prospidium chloride
Prospidine
Cloruro de prospidio
Chlorure de prospidium
3,12-Bis(3-chloro-2-hydroxypropyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride
Prospidii chloridum
7G733H6RES
NSC-166100
3,12-Bis(3-chloro-2-hydroxypropyl)-3,12-diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane dichloride
DTXSID301028521
3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-chloro-2-hydroxypropyl)-, dichloride
NSC166100
RefChem:176600
DTXCID101514091
23476-83-7
Prospidium chloride [INN]
1-chloro-3-[12-(3-chloro-2-hydroxypropyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-2-ol;dichloride
Prospidii chloridum [INN-Latin]
Cloruro de prospidio [INN-Spanish]
Chlorure de prospidium [INN-French]
NSC 166100
UNII-7G733H6RES
SCHEMBL297563
CHEMBL509176
PROSPIDIUM CHLORIDE [MART.]
YAA47683
PROSPIDIUM CHLORIDE [WHO-DD]
SBB080606
AKOS005110993
CS-0449874
NS00125837
Q7250929
3,12-Bis(3-chloro-2-hydroxypropyl)-3,6,9,12-tetraazadispiro[5.2.5(9).2(6)]Hexadecane-6,9-diium chloride
3,6,9,12-TETRAAZADISPIRO(5.2.5.2)HEXADECAN-6,9-IUM, 3,12-BIS(3-CHLORO-2-HYDROXYPROPYL)-, CHLORIDE (1:2)
3-chloro-1-[12-(3-chloro-2-hydroxypropyl)-3,6,9,12-tetraazadispiro[5.2.5.2]hex adec-3-yl]propan-2-ol, chloride, chloride