Aspirin Phenylalanine Ethyl Ester
[CAS# 76748-72-6]

Identification

• Name: Aspirin Phenylalanine Ethyl Ester
• Synonyms: Ethyl (2S)-2-[(2-Acetoxybenzoyl)Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2-Acetoxyphenyl)-Oxomethyl]Amino]-3-Phenylpropanoic Acid Ethyl Ester; (2S)-2-[(2-Acetoxybenzoyl)Amino]-3-Phenyl-Propionic Acid Ethyl Ester
• Molecular Formula: C₂₀H₂₁NO₅
• Molecular Weight: 355.39
• CAS Registry Number: 76748-72-6
• SMILES: [C@H](C(=O)OCC)(NC(C1=CC=CC=C1OC(=O)C)=O)CC2=CC=CC=C2
• InChI: 1S/C20H21NO5/c1-3-25-20(24)17(13-15-9-5-4-6-10-15)21-19(23)16-11-7-8-12-18(16)26-14(2)22/h4-12,17H,3,13H2,1-2H3,(H,21,23)/t17-/m0/s1
• InChIKey: KMAAFJXQASELNT-KRWDZBQOSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 537.036°C at 760 mmHg (Cal.)
• Flash point: 278.59°C (Cal.)