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Methyl PABA (Methyl 4-aminobenzoate)

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Identification
Molecular formula
C8H9NO2
CAS number
94-09-7
IUPAC name
methyl 3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoate
State
State

The compound is in a solid state at room temperature. It is known for being relatively stable under normal conditions and is often manipulated and processed in its solid form unless specific reactions require it to be dissolved or heated.

Melting point (Celsius)
89.00
Melting point (Kelvin)
362.15
Boiling point (Celsius)
499.20
Boiling point (Kelvin)
772.40
General information
Molecular weight
193.21g/mol
Molar mass
193.2300g/mol
Density
1.2700g/cm3
Appearence

The compound typically appears as a white to off-white crystalline solid. It is often available in powder form and can have a characteristic odor depending on the purity and specific isomer present. Its solid-state structure can be characterized by its crystalline nature, often forming needle-like structures or fine crystals.

Comment on solubility

Solubility of Methyl 3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoate

The solubility of the compound, with the chemical formula C8H9NO2, can be quite complex due to its multifaceted structure. Solubility largely depends on several factors:

  • Polarity: The presence of polar functional groups, such as the amine and carboxyl, can enhance solubility in polar solvents, notably water.
  • Hydrogen Bonding: This compound can participate in hydrogen bonding, increasing its potential solubility in aqueous environments.
  • Precipitation Tendency: Certain substituents may lead the compound to precipitate in specific solvents, particularly in organic solvents.
  • Temperature Influence: Like many compounds, solubility can increase with temperature, so heat may play a role in dissolving the compound effectively.

While detailed solubility data may not be readily available, it is expected that this compound would have moderate solubility in organic solvents and potentially better solubility in polar solvents due to its structured nature. As a general observation, experiments are essential to ascertain precise solubility characteristics in different solvents.

Interesting facts

Interesting Facts about Methyl 3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoate

Methyl 3-[[4-[3-(aminomethyl)phenyl]benzoyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoate is a complex organic compound that showcases the intricate world of chemistry, particularly in medicinal chemistry and pharmacology. This compound belongs to a class of molecules known for their potential therapeutic effects, making them a focal point of research in drug development.

Key Characteristics

  • Pharmacological Potential: Compounds of this nature are often investigated for their roles as pharmaceuticals, particularly in targeting specific biological pathways.
  • Molecular Complexity: The compound features multiple functional groups, including amino and carboxyl moieties, which greatly influence its reactivity and biological interactions.
  • Biochemical Interactions: Understanding how this compound interacts with various receptors and enzymes can provide insights into its mechanisms of action, guiding further modifications for enhanced efficacy.

This molecule also exemplifies the importance of structure-activity relationships (SAR) in drug design. Chemists study how variations in its molecular configuration can affect its biological activity, leading to the development of more effective medications with fewer side effects.

Research Implications

Against the backdrop of ongoing research, compounds like this one can potentially pave the way for new treatments in various fields, including:

  • Cancer therapy - Targeting specific cancer cells with precision medication.
  • Neurological disorders - Providing solutions for conditions that currently have limited treatment options.
  • Infectious diseases - Developing robust approaches to combat resistant strains of pathogens.

As a student or aspiring chemist, understanding such molecules is pivotal not just for grasping theoretical concepts but also for applying this knowledge to real-world challenges. The study of this compound blends creativity with scientific rigor, highlighting the profound impact chemistry can have on human health.

Synonyms
CHEMBL110419
SCHEMBL12386972