CAS 1187570-89-3

Ethyl 3-amino-4-[(1-methylethyl)amino]benzoate

Description:

Ethyl 3-amino-4-[(1-methylethyl)amino]benzoate, identified by its CAS number 1187570-89-3, is an organic compound characterized by its ester functional group and an aromatic ring. This compound features an ethyl ester derived from 3-amino-4-aminobenzoic acid, with an isopropyl group attached to the amino substituent. Its molecular structure suggests it may exhibit both hydrophilic and lipophilic properties, which can influence its solubility in various solvents. The presence of amino groups indicates potential for hydrogen bonding, which may affect its reactivity and interaction with biological systems. Ethyl 3-amino-4-[(1-methylethyl)amino]benzoate may be of interest in pharmaceutical applications due to its structural features that could contribute to biological activity. Additionally, its synthesis and characterization would involve standard organic chemistry techniques, including spectroscopic methods for confirmation of its structure. Overall, this compound represents a class of molecules that may have significant implications in medicinal chemistry and drug development.

Formula: C₁₂H₁₈N₂O₂

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

InChI key: InChIKey=HUFSVBYBODFFDE-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-amino-4-[(1-methylethyl)amino]benzoate
• Ethyl 3-amino-4-isopropylaminobenzoate
• Benzoic acid, 3-amino-4-[(1-methylethyl)amino]-, ethyl ester

Ethyl 3-amino-4-(isopropylamino)benzoate

CAS: 1187570-89-3

Formula: C₁₂H₁₈N₂O₂

Molecular weight: 222.2835

Ref: IN-DA0094BI