CAS 94104-33-3

Ethyl β-amino-4-chlorobenzenepropanoate

Description:

Ethyl β-amino-4-chlorobenzenepropanoate, with the CAS number 94104-33-3, is an organic compound characterized by its ester functional group and the presence of both an amino group and a chlorobenzene moiety. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents, such as ethanol and dichloromethane, but may have limited solubility in water due to its hydrophobic aromatic structure. The presence of the amino group suggests potential for hydrogen bonding, which can influence its reactivity and interactions with other molecules. Ethyl β-amino-4-chlorobenzenepropanoate may be utilized in various chemical syntheses, particularly in the development of pharmaceuticals or agrochemicals, owing to its functional groups that can participate in further chemical reactions. Safety data should be consulted for handling and storage, as compounds with amino and halogen substituents can exhibit varying degrees of toxicity and reactivity.

Formula: C₁₁H₁₄ClNO₂

InChI: InChI=1S/C11H14ClNO2/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3

InChI key: InChIKey=SAXNGCIJNXBVHG-UHFFFAOYSA-N

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

Synonyms:

• Ethyl β-amino-4-chlorobenzenepropanoate
• Benzenepropanoic acid, β-amino-4-chloro-, ethyl ester