N-(N-(4-Chlorobenzoyl)-3-(2,6-Dimethylanilino)Propionyl)-4-(p-Anisidino)Butyric Acid
[CAS# 71455-71-5]

Identification

• Name: N-(N-(4-Chlorobenzoyl)-3-(2,6-Dimethylanilino)Propionyl)-4-(p-Anisidino)Butyric Acid
• Synonyms: 4-[[3-[[(4-Chlorophenyl)-Oxomethyl]-(2,6-Dimethylphenyl)Amino]-1-Oxopropyl]-(4-Methoxyphenyl)Amino]Butanoic Acid; 4-[3-[(4-Chlorobenzoyl)-(2,6-Dimethylphenyl)Amino]Propanoyl-(4-Methoxyphenyl)Amino]Butyric Acid; 4-[3-[(4-Chlorophenyl)Carbonyl-(2,6-Dimethylphenyl)Amino]Propanoyl-(4-Methoxyphenyl)Amino]Butanoic Acid
• Molecular Formula: C₂₉H₃₁ClN₂O₅
• Molecular Weight: 523.03
• CAS Registry Number: 71455-71-5
• SMILES: C1=CC(=CC=C1N(CCCC(=O)O)C(CCN(C2=C(C=CC=C2C)C)C(C3=CC=C(C=C3)Cl)=O)=O)OC
• InChI: 1S/C29H31ClN2O5/c1-20-6-4-7-21(2)28(20)32(29(36)22-9-11-23(30)12-10-22)19-17-26(33)31(18-5-8-27(34)35)24-13-15-25(37-3)16-14-24/h4,6-7,9-16H,5,8,17-19H2,1-3H3,(H,34,35)
• InChIKey: XFGKONPVYWPLNT-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 723.18°C at 760 mmHg (Cal.)
• Flash point: 391.165°C (Cal.)