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CAS 78243-27-3

:

2-(4-Methyl-1-piperidinyl)-5-nitrobenzoic acid

Description:
2-(4-Methyl-1-piperidinyl)-5-nitrobenzoic acid, identified by its CAS number 78243-27-3, is an organic compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a nitro group and a piperidine ring. This compound typically exhibits properties such as being a solid at room temperature, with a moderate solubility in polar solvents due to the presence of the carboxylic acid functional group. The piperidine ring contributes to its basicity and potential for forming hydrogen bonds, influencing its reactivity and interactions with biological systems. The nitro group is known for its electron-withdrawing properties, which can affect the compound's overall electronic characteristics and reactivity. This substance may be of interest in medicinal chemistry and pharmacology, particularly for its potential biological activities. However, specific applications and safety profiles would require further investigation and analysis in the context of its use in research or industry.
Formula:C13H16N2O4
InChI:InChI=1S/C13H16N2O4/c1-9-4-6-14(7-5-9)12-3-2-10(15(18)19)8-11(12)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChI key:InChIKey=ISYLQMMLDFSLPI-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C=CC(N(=O)=O)=C1)N2CCC(C)CC2
Synonyms:
  • 2-(4-Methyl-1-piperidinyl)-5-nitrobenzoic acid
  • Benzoic acid, 2-(4-methyl-1-piperidinyl)-5-nitro-
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