CAS 72635-80-4

3-Amino-4-propoxybenzonitrile

Description:

3-Amino-4-propoxybenzonitrile, with the CAS number 72635-80-4, is an organic compound characterized by the presence of an amino group (-NH2), a propoxy group (-O-CH2-CH2-CH3), and a nitrile group (-C≡N) attached to a benzene ring. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the propoxy group. The amino group can participate in hydrogen bonding, which may influence its reactivity and interactions with other molecules. 3-Amino-4-propoxybenzonitrile is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its chemical properties, such as melting point, boiling point, and reactivity, can vary based on the specific conditions and the presence of other functional groups in a reaction. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₀H₁₂N₂O

InChI: InChI=1S/C10H12N2O/c1-2-5-13-10-4-3-8(7-11)6-9(10)12/h3-4,6H,2,5,12H2,1H3

InChI key: InChIKey=GNKTXQNCPYJMAN-UHFFFAOYSA-N

SMILES: O(CCC)C1=C(N)C=C(C#N)C=C1

Synonyms:

• 3-Amino-4-propoxybenzonitrile
• Benzonitrile, 3-amino-4-propoxy-