CAS 1235439-20-9

4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1)

Description:

4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its pyridine and diazepine moieties, which contribute to its potential biological activity. The presence of the pyridine ring suggests that it may exhibit properties typical of heterocyclic compounds, such as the ability to participate in hydrogen bonding and coordination with metal ions. The hexahydro-1H-1,4-diazepin structure indicates that it may possess a cyclic amine functionality, which can influence its solubility and reactivity. As a methyl ester, it is likely to be more lipophilic, enhancing its permeability through biological membranes. The hydrochloride salt form indicates that it is a stable, water-soluble compound, which is often advantageous for pharmaceutical applications. Overall, this compound may have potential uses in medicinal chemistry, particularly in the development of therapeutic agents, due to its unique structural features and the biological activities associated with its functional groups. However, specific biological activities and applications would require further investigation.

Formula: C₁₂H₁₇N₃O₂·ClH

InChI: InChI=1S/C12H17N3O2.ClH/c1-17-12(16)10-3-5-14-11(9-10)15-7-2-4-13-6-8-15;/h3,5,9,13H,2,4,6-8H2,1H3;1H

InChI key: InChIKey=BSROCTMOVKNUFL-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(N=CC1)N2CCCNCC2.Cl

Synonyms:

• 4-Pyridinecarboxylic acid, 2-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester, hydrochloride (1:1)

Methyl 2-(1,4-diazepan-1-yl)pyridine-4-carboxylate hydrochloride

CAS: 1235439-20-9

Versatile small molecule scaffold

Formula: C₁₂H₁₈ClN₃O₂

Purity: Min. 95%

Molecular weight: 271.74 g/mol

Ref: 3D-KZB43920