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CAS 684648-79-1

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2-(Hexahydro-1H-azepin-1-yl)-3-pyridinecarbonitrile

Description:
2-(Hexahydro-1H-azepin-1-yl)-3-pyridinecarbonitrile, with the CAS number 684648-79-1, is a chemical compound characterized by its unique structure, which includes a pyridine ring and a hexahydroazepine moiety. This compound typically exhibits properties associated with both heterocyclic and nitrile functionalities, which can influence its reactivity and interactions in various chemical environments. The presence of the pyridine ring suggests potential basicity and the ability to participate in coordination chemistry, while the nitrile group may contribute to its polarity and solubility in polar solvents. Additionally, the hexahydroazepine structure may impart certain steric and electronic characteristics that could affect its biological activity and pharmacological properties. Such compounds are often of interest in medicinal chemistry and drug development due to their potential therapeutic applications. Overall, the specific characteristics, including melting point, boiling point, and solubility, would depend on the compound's purity and the conditions under which it is studied.
Formula:C12H15N3
InChI:InChI=1S/C12H15N3/c13-10-11-6-5-7-14-12(11)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2
InChI key:InChIKey=SBQJQAQUDMTPLD-UHFFFAOYSA-N
SMILES:C(#N)C1=C(N=CC=C1)N2CCCCCC2
Synonyms:
  • 3-Pyridinecarbonitrile, 2-(hexahydro-1H-azepin-1-yl)-
  • 2-(1-Azepanyl)nicotinonitrile
  • 2-(Hexahydro-1H-azepin-1-yl)-3-pyridinecarbonitrile
  • 2-(Azepan-1-yl)pyridine-3-carbonitrile
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