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Theophylline

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Identification
Molecular formula
C7H8N4O2
CAS number
58-55-9
IUPAC name
dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium;chloride
State
State

Theophylline is typically found in a solid state at room temperature. The solid nature of the compound allows it to be easily manipulated for various applications, notably in medical formulations.

Melting point (Celsius)
272.00
Melting point (Kelvin)
545.00
Boiling point (Celsius)
383.00
Boiling point (Kelvin)
656.00
General information
Molecular weight
198.22g/mol
Molar mass
198.2200g/mol
Density
1.3000g/cm3
Appearence

Theophylline appears as a white crystalline powder. It is odorless and possesses a bitter taste. Its crystals can be seen as fine needles when examined under a microscope.

Comment on solubility

Solubility of Dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium Chloride

Dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium chloride is an intriguing compound with notable solubility properties.

When considering its solubility, a few key points arise:

  • Solvent Compatibility: This compound is likely to exhibit good solubility in polar solvents such as water, due to the presence of ammonium and chloride ions, which can readily interact with water molecules.
  • Ionic Interaction: The ammonium group enhances its capacity to dissolve in aqueous solutions, promoting strong ionic interactions that drive solvation.
  • Hydrogen Bonding: The structure’s ability to participate in hydrogen bonding can further facilitate its solubility, especially in water.
  • Temperature Dependency: Like many compounds, its solubility may increase with temperature, which is a common characteristic of salts.
  • Complexation: In some cases, additional factors such as the presence of chelating agents could enhance solubility through complex formation.

As a result, it can be concluded that dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium chloride likely exhibits favorable solubility characteristics, particularly in polar environments.

Interesting facts

Interesting Facts about Dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium Chloride

Dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium chloride is a fascinating compound that belongs to the class of ammonium salts, which play vital roles in both biological systems and synthetic applications. Here are some intriguing aspects of this compound:

  • Biosynthetic Importance: This compound features a purine derivative, which is integral to the structure of nucleotides — the building blocks of DNA and RNA. Its presence in biological systems highlights its potential role in cellular processes.
  • Antioxidant Potential: The presence of the dioxo group in the purine ring suggests that this compound could exhibit antioxidant properties, making it of interest for biomedical research.
  • Substituent Significance: The dimethylammonium moiety can influence the physicochemical properties of the compound, such as solubility and membrane permeability, thereby having potential implications in drug design and delivery.
  • Therapeutic Applications: Compounds similar to this one have been studied for various therapeutic applications, including their roles as enzyme inhibitors or in cancer treatment, given the interconnectedness of purine metabolism in cancer cell proliferation.
  • Structural Complexity: The compound’s intricate structure, combining multiple functional groups, showcases the creativity of chemical synthesis and the vast potential for developing new materials with specific properties.

In summary, dimethyl-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]ammonium chloride offers a glimpse into the complexity and beauty of medicinal chemistry and organic synthesis. As research continues, we may uncover even more fascinating properties and applications for this compound!

Synonyms
8-((2-(Dimethylamino)ethyl)thio)caffeine hydrochloride
CAFFEINE, 8-((2-(DIMETHYLAMINO)ETHYL)THIO)-, HYDROCHLORIDE
24851-37-4
RefChem:331561