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CAS 502133-50-8

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6-(Hexahydro-1H-1,4-diazepin-1-yl)-3-pyridinecarboxylic acid

Description:
6-(Hexahydro-1H-1,4-diazepin-1-yl)-3-pyridinecarboxylic acid, with the CAS number 502133-50-8, is a chemical compound characterized by its unique structure that combines a pyridine ring with a hexahydro-1H-1,4-diazepine moiety. This compound features a carboxylic acid functional group, which contributes to its acidic properties and potential for forming salts or esters. The presence of the hexahydro-1H-1,4-diazepine structure suggests that it may exhibit certain biological activities, possibly related to its interaction with neurotransmitter systems or other biological targets. The compound's solubility, stability, and reactivity can be influenced by the functional groups present, making it of interest in medicinal chemistry and drug development. Its specific applications may vary, but it could serve as a lead compound for further modifications aimed at enhancing pharmacological properties. As with many chemical substances, safety data and handling precautions should be considered when working with this compound in laboratory settings.
Formula:C11H15N3O2
InChI:InChI=1S/C11H15N3O2/c15-11(16)9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2,(H,15,16)
InChI key:InChIKey=VLUOJYKVMJOBRE-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC=C(N=C1)N2CCCNCC2
Synonyms:
  • 1H-1,4-diazepine-1-carboxylic acid, 4-(5-carboxy-2-pyridinyl)hexahydro-, 1-(1,1-dimethylethyl) ester
  • 3-Pyridinecarboxylic acid, 6-(hexahydro-1H-1,4-diazepin-1-yl)-
  • 6-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)nicotinic acid
  • 6-(Hexahydro-1H-1,4-diazepin-1-yl)-3-pyridinecarboxylic acid
  • 6-[4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl]nicotinic acid
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