CAS 848819-85-2

Ethyl 3-amino-4-(propylamino)benzoate

Description:

Ethyl 3-amino-4-(propylamino)benzoate, identified by its CAS number 848819-85-2, is an organic compound that belongs to the class of benzoate esters. This substance features an ethyl ester group attached to a benzoic acid derivative, which is further substituted with amino groups at the 3 and 4 positions of the aromatic ring. The presence of these amino groups contributes to its potential as a building block in pharmaceutical synthesis and medicinal chemistry, as amino-substituted benzoates can exhibit various biological activities. The compound is typically characterized by its molecular structure, which includes a benzene ring, an ethyl ester, and propylamino substituents, influencing its solubility and reactivity. Ethyl 3-amino-4-(propylamino)benzoate may be synthesized through specific organic reactions, and its properties, such as melting point, boiling point, and solubility, can vary based on the conditions of synthesis and purity. As with many organic compounds, safety data and handling precautions should be considered when working with this substance in a laboratory setting.

Formula: C₁₂H₁₈N₂O₂

InChI: InChI=1S/C12H18N2O2/c1-3-7-14-11-6-5-9(8-10(11)13)12(15)16-4-2/h5-6,8,14H,3-4,7,13H2,1-2H3

InChI key: InChIKey=UARBHZNYQTWNKM-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(N)=C(NCCC)C=C1

Synonyms:

• Ethyl 3-amino-4-(propylamino)benzoate
• Benzoic acid, 3-amino-4-(propylamino)-, ethyl ester