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LY-404,039

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Identification
Molecular formula
C21H30N2O3
CAS number
121024-87-7
IUPAC name
2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate
State
State

The compound is generally found in a solid state at room temperature, suitable for handling and storage as a powder or crystalline solid.

Melting point (Celsius)
65.00
Melting point (Kelvin)
338.15
Boiling point (Celsius)
222.00
Boiling point (Kelvin)
495.15
General information
Molecular weight
327.46g/mol
Molar mass
327.4600g/mol
Density
1.1800g/cm3
Appearence

This compound typically appears as a white or off-white solid.

Comment on solubility

Solubility of 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate

The solubility of 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate can be fascinating when considering its structural components. This compound features a complex organic structure which can impact its solubility. Generally, the solubility of organic compounds such as this one is influenced by several key factors:

  • Polarity: Due to its ammonium group, this compound may exhibit some degree of polarity, enhancing solubility in polar solvents like water.
  • Hydrophobic Characteristics: The heptanoyloxy group introduces hydrophobic characteristics that could reduce solubility in aqueous environments.
  • pH Sensitivity: The presence of the ammonium ion implies that the solubility may vary with changes in pH, likely becoming more soluble in acidic conditions.
  • Interactions with Solvents: Solvents that can interact favorably with both the hydrophilic and hydrophobic sections of the molecule may enhance solubility.

In summary, while the solubility of 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate may be variable and dependent on environmental conditions, it is essential to consider the balance between its polar and non-polar characteristics. As a result, it could be more soluble in mixed solvent systems that accommodate its unique structural features.

Interesting facts

Interesting Facts about 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate

This compound, with its intricate structure, belongs to a fascinating class of chemicals known as indole derivatives. These derivatives are renowned for their role in various biological systems and applications, ranging from pharmaceuticals to agricultural products. Here are some intriguing aspects of this compound:

  • Biological Significance: Indole and its derivatives play crucial roles in life forms, as they are involved in the synthesis of important neurotransmitters, including serotonin. This connection highlights the potential therapeutic applications of 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate.
  • Unique Structure: The presence of both a heptanoyloxy group and an ethylammonium moiety allows for intriguing interactions in biochemistry. This can lead to unique properties, which may impact its solubility and reactivity in biological environments.
  • Potential Applications: Compounds like this one are often explored in drug design and development, particularly for treating disorders related to neurotransmitter imbalances. Additionally, such structures may serve as scaffolds in the development of novel therapeutic agents.
  • Synthetic Pathways: The synthesis of this compound can involve various organic reactions, such as acylation and amination, making it a subject of interest in organic chemistry courses and research.
  • Research Focus: Given its unique structure, researchers are likely to investigate its binding properties, bioactivity, and potential toxicity, making it a compelling candidate for further studies in medicinal chemistry.

In conclusion, 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium;acetate stands out not only for its complex chemical structure but also for its potential implications in biological systems and medicinal applications. As chemists and researchers delve deeper into its properties, they may unravel even more exciting possibilities surrounding this compound.

Synonyms
19716-84-8
HEPTANOIC ACID, 3-(2-AMINOETHYL)INDOL-5-YL ESTER, MONOACETATE
3-(2-Aminoethyl)indol-5-yl ester of heptanoic acid acetate
DTXSID60173380
DTXCID6095871
RefChem:347260