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CAS 414884-12-1

:

4-(azepan-1-ylmethyl)benzoic acid

Description:
4-(Azepan-1-ylmethyl)benzoic acid, identified by its CAS number 414884-12-1, is an organic compound characterized by the presence of a benzoic acid moiety and an azepane ring. The structure features a benzene ring substituted with a carboxylic acid group (-COOH) and a side chain that includes a 7-membered nitrogen-containing heterocycle (azepane) linked through a methylene (-CH2-) group. This compound exhibits properties typical of both aromatic and aliphatic compounds, including potential solubility in polar solvents due to the carboxylic acid functionality. The azepane ring contributes to its potential biological activity, as cyclic amines are often involved in interactions with biological targets. The presence of the carboxylic acid group suggests that it can participate in acid-base reactions and may form salts or esters. Overall, 4-(azepan-1-ylmethyl)benzoic acid may have applications in medicinal chemistry and materials science, although specific biological or pharmacological properties would require further investigation.
Formula:C14H19NO2
InChI:InChI=1/C14H19NO2/c16-14(17)13-7-5-12(6-8-13)11-15-9-3-1-2-4-10-15/h5-8H,1-4,9-11H2,(H,16,17)
SMILES:C1CCCN(CC1)Cc1ccc(cc1)C(=O)O
Synonyms:
  • UKRORGSYN-BB BBV-006505
  • 4-(1-AZEPANYLMETHYL)BENZOIC ACID
  • Benzoic acid, 4-[(hexahydro-1H-azepin-1-yl)methyl]-
  • OTAVA-BB 7020672184
  • CHEMBRDG-BB 5265121
  • AKOS BBV-006505
  • 4-(1-azepanylmethyl)benzoic acid(SALTDATA: FREE)
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