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Theobromine

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Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
1,3-dimethyl-7H-purine-2,6-dione;6-(methylamino)hexane-1,2,3,4,5-pentol
State
State

Theobromine is typically found in a solid state at room temperature. It maintains a crystalline structure that can form powder or small chunks, depending on how it has been processed or extracted.

Melting point (Celsius)
357.00
Melting point (Kelvin)
630.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.5630g/cm3
Appearence

Theobromine is a colorless, crystalline compound. In its pure form, it may appear as a white or colorless solid with a crystalline structure, often used in various analyses and tests due to its distinct crystalline appearance.

Comment on solubility

Solubility of 1,3-Dimethyl-7H-Purine-2,6-Dione; 6-(Methylamino)hexane-1,2,3,4,5-pentol

The solubility of the compound 1,3-dimethyl-7H-purine-2,6-dione; 6-(methylamino)hexane-1,2,3,4,5-pentol can be influenced by several factors, making it a fascinating subject of study.

Key Aspects of Solubility

Understanding the solubility characteristics of this compound involves considering its molecular structure and functional groups:

  • Polar vs. Nonpolar: The presence of multiple hydroxyl (-OH) groups suggests that the compound may exhibit strong polar characteristics, enhancing its solubility in polar solvents such as water.
  • Hydrogen Bonding: Compounds with hydroxyl groups can form hydrogen bonds with water, which typically leads to increased solubility.
  • Chain Length: The long alkyl chain in 6-(methylamino)hexane-1,2,3,4,5-pentol may influence solubility, as longer hydrocarbon chains often reduce solubility in polar solvents.

Furthermore, the balance between hydrophilic (water-attracting) and hydrophobic (water-repelling) components in the molecule greatly impacts its overall solubility:

  1. If the hydrophilic parts are dominant, expect considerable solubility in aqueous environments.
  2. In contrast, if the hydrophobic character prevails, solubility may be limited.

In summary, the solubility of 1,3-dimethyl-7H-purine-2,6-dione; 6-(methylamino)hexane-1,2,3,4,5-pentol will likely vary based on the balance of functional groups present, the influence of molecular interactions, and the solvent's properties. As with many compounds, it's a nuanced relationship where "like dissolves like" is a main guiding principle.

Interesting facts

Interesting Facts about 1,3-Dimethyl-7H-Purine-2,6-Dione; 6-(Methylamino)hexane-1,2,3,4,5-pentol

This unique compound is a fascinating subject of study due to its multifaceted nature and the roles it plays in biochemical systems. Here are some intriguing aspects:

  • Dual Functionality: The presence of both purine and polyol structures in this compound suggests a potential for varied biological activities, making it a point of interest in pharmacological research.
  • Bioenergetics: The purine component, particularly in the form of 1,3-dimethyluric acid derivatives, is essential in cellular energy metabolism. Its understanding is vital in areas related to ATP (adenosine triphosphate) synthesis and degradation.
  • Caffeine Analogs: The dimethyl substitutions are reminiscent of caffeine and other methylxanthines. These compounds are well-known for their stimulant properties, and research into similar molecules may yield insights into new CNS (central nervous system) active agents.
  • Polyol Significance: The hexane pentol segment highlights the significance of sugar alcohols in metabolic processes. Polyols are often studied for their roles in osmoregulation and as potential therapeutic agents in conditions such as diabetes.
  • Synthesis Potential: This compound's complex structure leads to interesting synthetic challenges. Chemists are continually exploring more efficient methodologies for creating such hybrid molecules, which can help in drug development and materials science.

In summary, this compound not only represents a blend of different chemical functionalities but also opens avenues for research into its physiological roles and synthetic possibilities. It is an excellent example of how complex molecular structures can lead to significant implications in both chemistry and biology.