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CAS 857283-67-1

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Benzoic acid, 3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)

Description:
Benzoic acid, 3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) is a chemical compound characterized by its benzoic acid core modified with a morpholinylmethyl group, which enhances its solubility and biological activity. The presence of the hydrochloride indicates that it is a salt formed with hydrochloric acid, which typically improves stability and solubility in aqueous solutions. As a hydrate, it contains water molecules in its crystalline structure, which can influence its physical properties, such as melting point and solubility. This compound may exhibit properties typical of both benzoic acid derivatives and morpholine-containing compounds, potentially displaying antimicrobial or antifungal activities. Its molecular structure allows for interactions with biological targets, making it of interest in pharmaceutical applications. Safety and handling precautions should be observed, as with many chemical substances, due to potential irritant effects or toxicity. Overall, this compound's unique structural features contribute to its potential utility in various chemical and biological contexts.
Formula:C12H15NO3·ClH·H2O
InChI:InChI=1S/C12H15NO3.ClH.H2O/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13;;/h1-3,8H,4-7,9H2,(H,14,15);1H;1H2
InChI key:InChIKey=SQUUPVRIGKRWHH-UHFFFAOYSA-N
SMILES:C(C1=CC(C(O)=O)=CC=C1)N2CCOCC2.Cl.O
Synonyms:
  • Benzoic acid, 3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)
  • Benzoic acid, 3-(4-morpholinylmethyl)-, hydrochloride, monohydrate
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