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CAS 444574-75-8

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2-(3-aminopropoxy)benzonitrile

Description:
2-(3-Aminopropoxy)benzonitrile, with the CAS number 444574-75-8, is an organic compound characterized by its aromatic structure and functional groups. It features a benzonitrile moiety, which consists of a benzene ring attached to a nitrile group (-C≡N), and a propoxy side chain that includes an amino group (-NH2) at the third carbon of the propyl chain. This compound is typically a white to off-white solid and is soluble in polar organic solvents. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both the amino and nitrile functionalities, which can participate in various chemical reactions. The amino group can act as a hydrogen bond donor, while the nitrile group can serve as a versatile functional handle for further chemical modifications. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C10H12N2O
InChI:InChI=1/C10H12N2O/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5H,3,6-7,11H2
SMILES:c1ccc(c(c1)C#N)OCCCN
Synonyms:
  • Benzonitrile, 2-(3-aminopropoxy)-
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