3-[[2-[(4-Chlorobenzoyl)-(2,6-Dimethylphenyl)Amino]Acetyl]Amino]Propanoic Acid
[CAS# 71455-87-3]

Identification

• Name: 3-[[2-[(4-Chlorobenzoyl)-(2,6-Dimethylphenyl)Amino]Acetyl]Amino]Propanoic Acid
• Synonyms: 3-[[2-[[(4-Chlorophenyl)-Oxomethyl]-(2,6-Dimethylphenyl)Amino]-1-Oxoethyl]Amino]Propanoic Acid; 3-[[2-[(4-Chlorobenzoyl)-(2,6-Dimethylphenyl)Amino]Acetyl]Amino]Propionic Acid; 3-[2-[(4-Chlorophenyl)Carbonyl-(2,6-Dimethylphenyl)Amino]Ethanoylamino]Propanoic Acid
• Molecular Formula: C₂₀H₂₁ClN₂O₄
• Molecular Weight: 388.85
• CAS Registry Number: 71455-87-3
• SMILES: C1=C(C(=C(C=C1)C)N(CC(NCCC(=O)O)=O)C(C2=CC=C(C=C2)Cl)=O)C
• InChI: 1S/C20H21ClN2O4/c1-13-4-3-5-14(2)19(13)23(12-17(24)22-11-10-18(25)26)20(27)15-6-8-16(21)9-7-15/h3-9H,10-12H2,1-2H3,(H,22,24)(H,25,26)
• InChIKey: REGANOKEQYEJEF-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 650.208°C at 760 mmHg (Cal.)
• Flash point: 347.033°C (Cal.)