CAS 1213551-05-3

(βR)-β-Amino-2-chloro-5-methoxybenzenepropanenitrile

Description:

(βR)-β-Amino-2-chloro-5-methoxybenzenepropanenitrile is a chemical compound characterized by its specific structural features, including an amino group, a chloro substituent, and a methoxy group attached to a benzene ring. This compound belongs to the class of nitriles, which are characterized by the presence of a cyano group (-C≡N). The presence of the β-amino group indicates that it has a chiral center, contributing to its stereochemistry, which can influence its biological activity and interactions. The methoxy group enhances the compound's lipophilicity, potentially affecting its solubility and permeability in biological systems. Additionally, the chloro substituent may impart unique reactivity and stability characteristics. Overall, the compound's functional groups suggest potential applications in pharmaceuticals or agrochemicals, where modifications to the benzene ring can lead to varied biological effects. Understanding its properties, including solubility, reactivity, and stereochemistry, is crucial for its application in research and industry.

Formula: C₁₀H₁₁ClN₂O

InChI: InChI=1S/C10H11ClN2O/c1-14-7-2-3-9(11)8(6-7)10(13)4-5-12/h2-3,6,10H,4,13H2,1H3/t10-/m1/s1

InChI key: InChIKey=CYIUHWPJFLLCMK-SNVBAGLBSA-N

SMILES: [C@H](CC#N)(N)C1=CC(OC)=CC=C1Cl

Synonyms:

• Benzenepropanenitrile, β-amino-2-chloro-5-methoxy-, (βR)-
• (βR)-β-Amino-2-chloro-5-methoxybenzenepropanenitrile