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Theobromine

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Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione
State
State

At room temperature, theobromine is in a solid state. It consists of fine crystalline particles and has a relatively high melting point compared to other alkaloids.

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
1.5030g/cm3
Appearence

Theobromine typically appears as a white or colorless crystalline powder. Its crystal structure allows it to have a smooth and fine texture, which is common in many caffeine-related alkaloids. It doesn't have a strong odor.

Comment on solubility

Solubility of 2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione

The compound 2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione demonstrates varying solubility characteristics that are noteworthy for chemical applications. Understanding the solubility of this compound can guide its use in various solutions and reactions.

Key Solubility Insights:

  • Polar Nature: 2-aminoethanol is a small, polar molecule that is highly soluble in water, making it an excellent solvent for various biochemical processes.
  • Hydrogen Bonding: The presence of amino (-NH2) groups facilitates extensive hydrogen bonding, enhancing its solubility in polar solvents.
  • Purine Derivative: The inclusion of the purine moiety in this compound typically exhibits moderate solubility in aqueous solutions, which may be influenced by its structural characteristics.
  • Functional Groups: The balance of functional groups in the compound can lead to solubility variations depending on the solvent environment; for instance, it's more soluble in acids or basic solutions compared to neutral solvents.

Overall, the solubility profile of this compound is essential for its practical applications, particularly in biological systems where solubility dictates bioavailability and reactivity. Knowing that it has a propensity to dissolve in polar media not only aids in laboratory settings but also underscores its relevance in pharmaceutical formulations.

Interesting facts

Interesting Facts about 2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione

2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione, commonly known in biological contexts due to its role in nucleic acid metabolism, is a compound of significant interest among chemists and biochemists alike. Here are some engaging facts about this unique compound:

  • Biological Significance: This compound serves as a key intermediate in the biosynthesis of various important biomolecules, particularly nucleotides, which are crucial for DNA and RNA synthesis.
  • Molecular Interactions: Being a purine derivative, it can readily participate in hydrogen bonding, making it an essential player in the structure and function of nucleic acids.
  • Therapeutic Potential: Research indicates that modifications of purines can lead to the development of drugs used in treating various conditions, including cancer and viral infections. This makes studying compounds like this one vital for drug discovery.
  • Analytical Applications: The presence of 2-aminoethanol in various biological systems makes it a desirable target for analytical chemistry, aiding in the development of techniques to quantify nucleic acids in clinical samples.
  • Environmental Impact: Understanding the degradation pathways of such compounds can help in assessing their environmental fate, particularly in biological treatment processes.

In summary, 2-aminoethanol; 1,3-dimethyl-7H-purine-2,6-dione represents a fascinating junction between organic chemistry and biochemistry, illustrating how small modifications in molecular structure can lead to profound biological implications. As Albert Einstein once said, “Everything should be made as simple as possible, but not simpler.” This compound exemplifies that principle, as it plays a complex role in life while being fundamentally simple in its structure.


Synonyms
THEOPHYLLINE OLAMINE
Theophylline ethanolamine
Theophylline monoethanolamine
573-41-1
Theophylline olamine [USP]
Monotheamine
9Z1S0O31SL
Clysmathane
Monotheamin
Monoxantil
Theamin
Unophyllin
Fleet-theophylline
Theopylline monoethanolamine
EINECS 209-355-8
Theophylline 2-aminoethanol
Theophylline-2-aminoethanol
UNII-9Z1S0O31SL
Theophylline compound with 2-aminoethanol (1:1)
SCHEMBL3120132
CHEMBL2107084
DTXSID40205916
DAAFJZUNCOXSKD-UHFFFAOYSA-N
THEOPHYLLINE ETHANOLAMINE [MI]
THEOPHYLLINE MONOETHANOLAMINE [WHO-DD]
Q27273398