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Theophylline Ethylenediamine Hydrochloride

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Identification
Molecular formula
C9H13N5O2SCl
CAS number
582-33-2
IUPAC name
8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride
State
State

At room temperature, this compound predominantly exists as a solid. The crystalline structure makes it stable and easy to handle in laboratory conditions.

Melting point (Celsius)
267.00
Melting point (Kelvin)
540.15
Boiling point (Celsius)
750.00
Boiling point (Kelvin)
1 023.15
General information
Molecular weight
280.76g/mol
Molar mass
280.7600g/mol
Density
1.1809g/cm3
Appearence

The salt form is typically a white or off-white crystalline powder. It may appear slightly yellowish in some cases. It is odorless and has a bitter taste.

Comment on solubility

Solubility of 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione; chloride

The solubility of the compound 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione; chloride is influenced by several key factors related to its chemical structure. This compound exhibits certain characteristics that play a crucial role in its solubility profile:

  • Ionic Nature: The presence of the chloride ion indicates that the compound likely forms ionic bonds, which typically enhances solubility in polar solvents like water.
  • Hydrophilic Functional Groups: The aminoethylsulfanyl group suggests an increased affinity for water, further contributing to solubility.
  • Hydrogen Bonding: The potential for hydrogen bonding due to functional groups may facilitate interactions with solvent molecules, promoting solubility.

Overall, this compound is expected to be well-soluble in polar solvents such as water, while its solubility in non-polar solvents would likely be much lower. As with many compounds, the complete solubility profile can be best understood through empirical testing under specific conditions.

Interesting facts

Interesting Facts about 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride

This intriguing compound is notable for several fascinating reasons, particularly in the fields of biochemistry and pharmacology. As a derivative of purine, a fundamental building block of nucleic acids, it plays a vital role in cellular processes.

Key Characteristics

  • Biological Importance: Compounds like this one, derived from purine, are crucial in the synthesis of nucleotides, which are the building blocks of DNA and RNA. This suggests potential applications in genetic research and therapy.
  • Pharmacological Potential: The functional groups present, including the aminoethylsulfanyl moiety, hint at possible interactions with biological systems, potentially contributing to pharmacological activities.
  • Structure-Activity Relationship: The specific arrangement of methyl groups around the purine core can influence the compound’s bioactivity and efficacy in therapeutic contexts, making it a prime candidate for drug design studies.

Applications in Research

In the laboratory, researchers may explore this compound for its:

  • Antioxidant properties: Many purine derivatives are investigated for their ability to scavenge free radicals.
  • Role in cell signaling: Understanding how this compound interacts with cellular receptors can unveil new pathways for therapeutic interventions.
  • Potential as a therapeutic agent: Given its structural features, further studies might reveal applications in treating conditions like cancer or infectious diseases.

In summary, 8-(2-aminoethylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride not only exemplifies the intricate world of chemical compounds but also highlights the vast potential that lies in nature's molecular designs. Researchers are continually discovering the nuances of such compounds, opening doors to innovative solutions in science and medicine.

Synonyms
CAFFEINE, 8-((2-AMINOETHYL)THIO)-, HYDROCHLORIDE
6493-25-0
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-aminoethyl)thio)-1,3,7-trimethyl-, hydrochloride