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Nicotinic acid N-oxide

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Identification
Molecular formula
C7H7NO3
CAS number
54-11-5
IUPAC name
1-methylpyridin-1-ium-4-carboxylate
State
State

At room temperature, nicotinic acid N-oxide is typically a solid. It is stable under normal conditions and can be easily handled and stored.

Melting point (Celsius)
225.00
Melting point (Kelvin)
498.15
Boiling point (Celsius)
295.00
Boiling point (Kelvin)
568.15
General information
Molecular weight
139.12g/mol
Molar mass
139.1220g/mol
Density
1.2920g/cm3
Appearence

Nicotinic acid N-oxide typically appears as a white to off-white crystalline powder. It is often very fine and may have a slight odor depending on its purity and handling conditions.

Comment on solubility

Solubility of 1-methylpyridin-1-ium-4-carboxylate

1-methylpyridin-1-ium-4-carboxylate, with its unique structure, exhibits notable solubility characteristics. This compound belongs to a class of ionic liquids and tends to be soluble in various solvents. Here are some key points regarding its solubility:

  • Solubility in Water: Due to the presence of the carboxylate functional group, this compound often displays decent wctor solubility, allowing it to dissolve in water to a certain extent.
  • Polar Solvents: It is likely to be highly soluble in polar aprotic solvents such as dimethyl sulfoxide (DMSO) and acetone, increasing the versatility for different applications.
  • Non-Polar Solvents: In contrast, its solubility in non-polar solvents is typically low, emphasizing the importance of polarity when considering dissolution.

This compound's solubility profile is influenced by several factors, including:

  1. The presence of ionic interactions due to the + cationic nature of the pyridinium component.
  2. Hydrogen bonding potential from the carboxylate group, which enhances interaction with polar solvents.
  3. Temperature, which can significantly impact solubility; generally, increased temperature can lead to higher solubility.

Overall, the solubility of 1-methylpyridin-1-ium-4-carboxylate reflects its ionic character and the influence of molecular interactions, making it an interesting compound for further study. As noted, its solubility tendencies can guide its use in various chemical processes.

Interesting facts

Interesting Facts about 1-methylpyridin-1-ium-4-carboxylate

1-methylpyridin-1-ium-4-carboxylate is a fascinating chemical compound that is part of the pyridine family, characterized by its unique structural and functional properties. Here are a few interesting aspects of this compound:

  • Protonation Site: This compound is notable for its ability to exist in a protonated form, which influences its reactivity and interactions with other substances. The presence of the carboxylate group makes it particularly interesting in organic synthesis and supramolecular chemistry.
  • Biological Relevance: Pyridinium derivatives, including 1-methylpyridin-1-ium-4-carboxylate, have been studied for their potential biological activities. Some pyridinium compounds exhibit antimicrobial, anti-inflammatory, and anticancer properties.
  • Versatile Reactions: The functional groups in this compound allow for a variety of chemical transformations. It can participate in reactions such as nucleophilic substitutions and can be utilized in the synthesis of other complex organic molecules.
  • Synthetic Applications: 1-methylpyridin-1-ium-4-carboxylate is often used as an intermediate in the preparation of pharmaceuticals and agrochemicals due to its reactivity and stability under various conditions.
  • Interactions with Ions: The ionic nature of the compound allows it to form salts with different ions, enhancing its use in a wide range of applications, including as a reagent in quantitative analysis and electrochemical studies.

As a compound with diverse applications and intriguing properties, 1-methylpyridin-1-ium-4-carboxylate continues to be a subject of interest in both academic and industrial settings. Its role in the development of new materials and compounds highlights the importance of exploring and understanding chemical derivatives in advanced chemistry.

Synonyms
Isotrigonelline
1-methylpyridin-1-ium-4-carboxylate
4-Carboxy-1-methylpyridinium betaine
824-77-1
N-METHYLISONICOTINATE
Pyridinium, 4-carboxy-1-methyl-, inner salt
H684MTM055
4-Carboxy-1-methylpyridiniumhydroxide, inner salt
Pyridinium, 4-carboxy-1-methyl-, hydroxide, inner salt
UNII-H684MTM055
starbld0027383
SDCCGMLS-0064674.P001
LS-13271
ISONICOTINIC ACID N-METHYL.BETA.INE
Q27279695