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CAS 921938-77-4

:

2-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride

Description:
2-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety and a diazepane ring. This compound typically appears as a white to off-white solid and is soluble in water due to the presence of the hydrochloride salt form. The diazepane ring contributes to its potential biological activity, making it of interest in pharmaceutical research. The presence of the carboxylic acid group in the benzoic acid portion may impart acidic properties, while the methyl group on the diazepane ring can influence its steric and electronic characteristics. As a hydrate, it contains water molecules in its crystalline structure, which can affect its stability and solubility. The compound's CAS number, 921938-77-4, allows for precise identification in chemical databases, facilitating research and development in medicinal chemistry and related fields. Overall, this compound's unique structural features suggest potential applications in drug development and therapeutic interventions.
Formula:C13H21ClN2O3
InChI:InChI=1/C13H18N2O2.ClH.H2O/c1-14-7-4-8-15(10-9-14)12-6-3-2-5-11(12)13(16)17;;/h2-3,5-6H,4,7-10H2,1H3,(H,16,17);1H;1H2
SMILES:CN1CCCN(CC1)c1ccccc1C(=O)O.Cl.O
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