N-(N-(4-Chlorobenzoyl)-4-(2,6-Dimethylanilino)Butyryl)-4-(2,6-Dimethyl Anilino)Butyric Acid
[CAS# 71455-66-8]

Identification

• Name: N-(N-(4-Chlorobenzoyl)-4-(2,6-Dimethylanilino)Butyryl)-4-(2,6-Dimethyl Anilino)Butyric Acid
• Synonyms: 4-[[4-[[(4-Chlorophenyl)-Oxomethyl]-(2,6-Dimethylphenyl)Amino]-1-Oxobutyl]-(2,6-Dimethylphenyl)Amino]Butanoic Acid; 4-[4-[(4-Chlorobenzoyl)-(2,6-Dimethylphenyl)Amino]Butanoyl-(2,6-Dimethylphenyl)Amino]Butyric Acid; 4-[4-[(4-Chlorophenyl)Carbonyl-(2,6-Dimethylphenyl)Amino]Butanoyl-(2,6-Dimethylphenyl)Amino]Butanoic Acid
• Molecular Formula: C₃₁H₃₅ClN₂O₄
• Molecular Weight: 535.08
• CAS Registry Number: 71455-66-8
• SMILES: C1=C(C(=C(C=C1)C)N(CCCC(=O)O)C(CCCN(C2=C(C=CC=C2C)C)C(C3=CC=C(C=C3)Cl)=O)=O)C
• InChI: 1S/C31H35ClN2O4/c1-21-9-5-10-22(2)29(21)33(19-8-14-28(36)37)27(35)13-7-20-34(30-23(3)11-6-12-24(30)4)31(38)25-15-17-26(32)18-16-25/h5-6,9-12,15-18H,7-8,13-14,19-20H2,1-4H3,(H,36,37)
• InChIKey: WOMFKQGDPWCASM-UHFFFAOYSA-N

Properties

• Density: 1.224g/cm³ (Cal.)
• Boiling point: 725.904°C at 760 mmHg (Cal.)
• Flash point: 392.813°C (Cal.)