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CAS 906352-84-9

:

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

Description:
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrochloride hydrate 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 crystalline solid and is soluble in water due to the presence of the hydrochloride salt form. The molecular structure features a diazepane ring that 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 hydrochloride form enhances solubility and stability. As a hydrate, it contains water molecules in its crystalline structure, which can affect its physical properties and stability. This compound may be studied for its potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.
Formula:C13H21ClN2O3
InChI:InChI=1/C13H18N2O2.ClH.H2O/c1-14-7-2-8-15(10-9-14)12-5-3-11(4-6-12)13(16)17;;/h3-6H,2,7-10H2,1H3,(H,16,17);1H;1H2
SMILES:CN1CCCN(CC1)c1ccc(cc1)C(=O)O.Cl.O
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