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Nicotine amide chloride

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Identification
Molecular formula
C13H23ClN2O
CAS number
7481-46-9
IUPAC name
3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-3H-azepin-2-one;chloride
State
State

At room temperature, nicotine amide chloride is typically solid. It is stable under normal conditions of use and storage.

Melting point (Celsius)
122.00
Melting point (Kelvin)
395.15
Boiling point (Celsius)
292.00
Boiling point (Kelvin)
565.15
General information
Molecular weight
284.81g/mol
Molar mass
284.8060g/mol
Density
1.1168g/cm3
Appearence

Nicotine amide chloride appears as a crystalline solid which is typically white to off-white in color.

Comment on solubility

Solubility of 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-3H-azepin-2-one;chloride

The solubility characteristics of 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-3H-azepin-2-one;chloride are intriguing due to its complex molecular structure. This compound, as a quaternary ammonium salt, exhibits specific solubility behaviors influenced by its ionic and non-ionic portions.

Key Points about Solubility:

  • Polar Nature: The presence of the pyrrolidinium group suggests that this compound is likely to be soluble in polar solvents, such as water and alcohols.
  • Ionic Interaction: As a chloride salt, it may dissociate in solution, enhancing its overall solubility due to ionic interactions with the solvent.
  • Hydrophobic Regions: The trimethyl group contributes to a hydrophobic character, which could solubilize the compound in non-polar organic solvents as well.
  • Concentration Dependence: Solubility can also be influenced by concentration and temperature, with higher temperatures generally increasing solubility for many salts.

In practical terms, when working with this compound, careful consideration of the solvent system is vital. A balanced choice between polar and non-polar solvents may be necessary for optimal solubility, and empirical testing can provide valuable insights into the specific solubility limits of this intriguing compound.

Interesting facts

Interesting Facts about 3,5,7-Trimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-3H-azepin-2-one; Chloride

This compound, prominently known for its complex structure, belongs to a class of substances that exhibit fascinating potential in various fields of chemistry, including medicinal chemistry and materials science. Here are some points of interest:

  • Structural Insight: The compound features an azepine ring, a seven-membered ring that incorporates nitrogen. This structural motif is often associated with biologically active molecules, making it a notable candidate for pharmacological studies.
  • Cationic Nature: Its chlorinated form suggests a positively charged group (the pyrrolidine moiety), which can enhance its solubility in polar solvents and facilitate interactions with biological macromolecules.
  • Potential Biological Activity: Compounds with pyrrolidin-1-ium groups are often investigated for their neuropharmacological effects. This specific compound may have implications in the design of drugs targeting neurological pathways.
  • Synthetic Routes: The synthesis of such compounds usually involves intricate multi-step processes, showcasing the creativity and precision required in modern organic chemistry methodologies.
  • Applications in Material Science: Beyond medicinal applications, the unique properties of this compound may lend themselves to diverse uses in materials science, particularly in the realm of polymer chemistry or as intermediates in organic synthesis.

In conclusion, 3,5,7-trimethyl-1-(2-pyrrolidin-1-ium-1-ylethyl)-3H-azepin-2-one; chloride is a striking example of the complexity found in organic compounds, combining structural elegance with potential practical applications. Its exploration could lead to significant advancements in both pharmaceuticals and materials science.

Synonyms
2H-Azepin-2-one, 1,3-dihydro-1-(2-(1-pyrrolidinyl)ethyl)-3,5,7-trimethyl-, hydrochloride
1-(2-(1-Pyrrolidinyl)ethyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one hydrochloride
1676-25-1