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CAS 92109-03-0

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4-azepan-1-yl-3-nitrobenzoic acid

Description:
4-Azepan-1-yl-3-nitrobenzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a nitro group and an azepane ring. The azepane ring, a seven-membered saturated heterocycle containing one nitrogen atom, contributes to the compound's potential biological activity and solubility properties. The presence of the nitro group introduces electron-withdrawing characteristics, which can influence the compound's reactivity and interaction with biological targets. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure allows for potential interactions with enzymes or receptors, which could be explored in drug development. Additionally, the compound's solubility and stability in different solvents can vary, affecting its application in research and industry. As with many organic compounds, safety and handling precautions are essential due to potential toxicity associated with the nitro group. Overall, 4-azepan-1-yl-3-nitrobenzoic acid represents a versatile structure for further investigation in chemical and pharmaceutical research.
Formula:C13H16N2O4
InChI:InChI=1/C13H16N2O4/c16-13(17)10-5-6-11(12(9-10)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)
SMILES:C1CCCN(CC1)c1ccc(cc1N(=O)=O)C(=O)O
Synonyms:
  • 4-Azepan-1-yl-3-nitro-benzoic acid
  • Benzoic acid, 4-(hexahydro-1H-azepin-1-yl)-3-nitro-
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