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CAS 21911-84-2

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N-Phenyl-β-alanine methyl ester

Description:
N-Phenyl-β-alanine methyl ester, with the CAS number 21911-84-2, is an organic compound characterized by its structure, which includes a phenyl group attached to the nitrogen of the amino acid β-alanine, along with a methyl ester functional group. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as ethanol and methanol, but may have limited solubility in water due to its hydrophobic phenyl group. It is often used in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of both an amino group and a carboxylate group in its structure allows it to participate in various chemical reactions, including esterification and amidation. Additionally, N-Phenyl-β-alanine methyl ester may exhibit biological activity, making it of interest in medicinal chemistry. As with many organic compounds, proper handling and safety precautions should be observed due to potential toxicity or reactivity.
Formula:C10H13NO2
InChI:InChI=1S/C10H13NO2/c1-13-10(12)7-8-11-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChI key:InChIKey=TWAMXXLZDQNMCF-UHFFFAOYSA-N
SMILES:N(CCC(OC)=O)C1=CC=CC=C1
Synonyms:
  • 3-(Phenylamino)propanoic acid methyl ester
  • 3-Phenyl-amino-propionic acid methyl ester
  • Methyl 3-(N-phenylamino)propionate
  • Methyl 3-(phenylamino)propanoate
  • Methyl 3-anilinopropionate
  • Methyl N-phenyl-beta-alaninate
  • Methyl β-(N-phenyl)aminopropionate
  • Methyl β-anilinopropionate
  • N-Phenyl-β-alanine methyl ester
  • N-[(Methoxycarbonyl)ethyl]aniline
  • See more synonyms
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