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Chloromethyl aminotetrahydrodiazepine carboxylate

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Identification
Molecular formula
C8H16ClN3O2
CAS number
.
IUPAC name
methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate;chloride
State
State

At room temperature, this compound is typically found as a solid. It is stable under normal conditions but should be stored in a cool, dry place to prevent degradation.

Melting point (Celsius)
110.00
Melting point (Kelvin)
383.15
Boiling point (Celsius)
205.00
Boiling point (Kelvin)
478.15
General information
Molecular weight
217.68g/mol
Molar mass
217.6800g/mol
Density
1.2000g/cm3
Appearence

This compound is typically a white to off-white crystalline powder. The exact shade and texture can vary slightly depending on the batch and specific conditions of storage. It may exhibit a slight ammoniacal odor, especially when exposed to moisture.

Comment on solubility

Solubility of Methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate Chloride

The solubility of methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate; chloride can be influenced by multiple factors including its molecular structure and the presence of functional groups. Generally, salts of this nature tend to be more soluble in polar solvents due to their ionic character.

Factors Influencing Solubility:

  • Ionic Nature: As a chloride salt, it is likely to exhibit good solubility in water.
  • Hydrogen Bonding: The presence of amino and carboxylate functional groups can enhance solubility through hydrogen bond interactions.
  • Polarity: The overall polarity of the molecule contributes significantly to its solubility in polar solvents.

Moreover, it is important to consider the temperature and pH of the solvent, as these can further affect solubility. In general, it can be stated that:

  • **Low pH environments** may increase solubility due to protonation effects.
  • **Higher temperatures** typically enhance solubility for many salts.

Experimental data would provide the precise solubility limits, but the structural characteristics suggest favorable conditions for dissolution in polar solvents, particularly in aqueous environments.

Interesting facts

Interesting Facts about Methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate; Chloride

Methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate; chloride is a fascinating compound that belongs to the class of diazepines, which are known for their diverse biological activities. Here are some intriguing aspects of this compound:

  • Pharmaceutical Potential: Diazepines are often studied for their pharmacological properties, including anxiolytic, sedative, and anticonvulsant effects, making them of interest in the development of new medications.
  • Structural Variety: The structure of this compound features a unique nitrogen-rich heterocyclic ring, which contributes to its stability and potential reactivity in various chemical environments.
  • Research Applications: Due to its functional groups, this compound serves as a valuable tool in medicinal chemistry for exploring new therapeutic agents or understanding biochemical pathways.
  • Synthesis Routes: The synthesis of this compound can involve innovative synthetic routes, often requiring advanced techniques in organic chemistry, showcasing the creativity of chemists in the laboratory.
  • Chloride Salts: The presence of the chloride ion is noteworthy, as it can influence the compound's solubility and reactivity, potentially enhancing its bioavailability in medicinal applications.

As a scientist or chemistry student, understanding the implications of studies involving compounds like methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate; chloride can broaden one’s knowledge on drug design and the intricate roles of nitrogen-containing compounds in biology. It opens avenues for research and potential therapeutic innovations, affirming the significant impact of small molecules in scientific advancement.

Synonyms
DTXSID40949141
Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)
RefChem:1089338
DTXCID901377342
26281-34-5
(-)-Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid methyl ester hydrochloride
OH 41
1H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-imino-, methyl ester, monohydrochloride, (-)-