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Gabapentin

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Identification
Molecular formula
C9H17NO2
CAS number
60142-96-3
IUPAC name
1-cyclohexyl-5-(4-hydroxybutyl)hexahydropyrimidine-2,4,6-trione
State
State

At room temperature, Gabapentin is a solid. It remains stable under normal storage conditions and is unaffected by normal atmospheric moisture.

Melting point (Celsius)
162.00
Melting point (Kelvin)
435.15
Boiling point (Celsius)
187.00
Boiling point (Kelvin)
460.15
General information
Molecular weight
171.24g/mol
Molar mass
171.2370g/mol
Density
1.0607g/cm3
Appearence

Gabapentin, as a pure compound, generally appears as a white to off-white crystalline solid. It is known for its slight, distinct odor and slightly bitter taste.

Comment on solubility

Solubility of 1-Cyclohexyl-5-(4-hydroxybutyl)hexahydropyrimidine-2,4,6-trione

The solubility of 1-cyclohexyl-5-(4-hydroxybutyl)hexahydropyrimidine-2,4,6-trione can be influenced by several factors, due to its complex molecular structure. This compound contains multiple functional groups that can interact with different solvents.

Generally, the solubility can be assessed based on:

  • Polarity: The presence of the hydroxyl group may increase solubility in polar solvents like water.
  • Hydrophobic Regions: The cyclohexyl and hexahydropyrimidine moieties may lead to limited solubility in non-polar solvents.
  • Temperature: Increasing temperature often enhances solubility for many organic compounds.

It is important to note that the solubility of this compound may not be straightforward and could exhibit:

  1. Partial solubility in aqueous solutions due to hydrogen bonding from the hydroxyl group.
  2. Higher solubility in organic solvents, particularly those that can accommodate its hydrophobic characteristics.

Investigations into its solubility can uncover valuable insights for applications in pharmaceuticals and materials science, emphasizing that solubility is a critical parameter for the functionality of such compounds. Overall, one might conclude that it is essential to conduct specific solubility tests to determine the exact behavior of this compound in different solvent environments.

Interesting facts

Interesting Facts about 1-Cyclohexyl-5-(4-hydroxybutyl)hexahydropyrimidine-2,4,6-trione

This fascinating compound belongs to the family of hexahydropyrimidine derivatives, which showcase interesting structural features and potential applications. Its unique composition blends a cyclohexyl group with a hydroxybutyl moiety, which contributes to its interesting properties and potential utility in various fields of research and development.

Key Features:

  • Structural Diversity: The incorporation of a cyclohexyl ring enhances the molecular rigidity, thus contributing to the compound's stability.
  • Functional Groups: The presence of a hydroxy (–OH) group in the compound is noteworthy as it can lead to increased solubility and reactivity, which can be beneficial in synthesis and interaction with biological systems.
  • Potential Applications: Compounds of this sort may have promising applications in pharmaceuticals, particularly as intermediates or active ingredients in drug formulations.
  • Research Interest: Scientists are exploring the potential of pyrimidine derivatives in medicinal chemistry due to their diverse biological activities, including antiviral and anticancer properties.

Moreover, the compound features specific chemical dynamics that could be of interest to chemists studying reaction mechanisms or those involved in developing new synthetic pathways. As it is situated at the intersection of organic chemistry and medicinal applications, this compound serves as a prime example of how intricate chemical structures can exhibit significant functional versatility.

Contemplating Further Research:

As the demand for novel compounds in medicinal chemistry grows, the exploration of hexahydropyrimidine derivatives may yield promising results. Investigating the reactivity, stability, and bioactivity of this compound could lead to innovations in drug design.

In summary, 1-cyclohexyl-5-(4-hydroxybutyl)hexahydropyrimidine-2,4,6-trione is not only fascinating due to its \emph{structural complexity} but also for its potential in enhancing our understanding of medicinal properties and applications in the pharmaceutical industry. Emphasizing the intersection of structure and function in chemical entities, this compound highlights the continual necessity for exploration in the field of organic chemistry.

Synonyms
1-Cyclohexyl-5-(4-hydroxybutyl)barbituric acid
17148-41-3
1-cyclohexyl-5-(4-hydroxybutyl)-1,3-diazinane-2,4,6-trione
BRN 0757642
BARBITURIC ACID, 1-CYCLOHEXYL-5-(4-HYDROXYBUTYL)-
1-Cyclohexyl-5-(4-hydroxybutyl)perhydropyrimidine-2,4,6-trione
DTXSID30937991
3-Cyclohexyl-6-hydroxy-5-(4-hydroxybutyl)pyrimidine-2,4(3H,5H)-dione