2-(Benzoylamino)-3-(3,4-Dihydroxyphenyl)Propanoic Acid
[CAS# 33515-36-5]

Identification

• Name: 2-(Benzoylamino)-3-(3,4-Dihydroxyphenyl)Propanoic Acid
• Synonyms: 3-(3,4-Dihydroxyphenyl)-2-[(Oxo-Phenylmethyl)Amino]Propanoic Acid; 2-(Benzoylamino)-3-(3,4-Dihydroxyphenyl)Propionic Acid; 3-(3,4-Dihydroxyphenyl)-2-(Phenylcarbonylamino)Propanoic Acid
• Molecular Formula: C₁₆H₁₅NO₅
• Molecular Weight: 301.30
• CAS Registry Number: 33515-36-5 (33515-38-7)
• EINECS: 251-554-7
• SMILES: C2=C(CC(NC(=O)C1=CC=CC=C1)C(=O)O)C=CC(=C2O)O
• InChI: 1S/C16H15NO5/c18-13-7-6-10(9-14(13)19)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,18-19H,8H2,(H,17,20)(H,21,22)
• InChIKey: WGTPJOPXQRPTDE-UHFFFAOYSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 650.632°C at 760 mmHg (Cal.)
• Flash point: 347.29°C (Cal.)