3-[(3,4-Dichlorobenzoyl)Amino]-4-(3-Methoxypropyl-Pentylamino)-4-Oxobutanoic Acid
[CAS# 111106-29-7]

Identification

• Name: 3-[(3,4-Dichlorobenzoyl)Amino]-4-(3-Methoxypropyl-Pentylamino)-4-Oxobutanoic Acid
• Synonyms: 3-[(3,4-Dichlorobenzoyl)Amino]-4-(3-Methoxypropyl-Pentyl-Amino)-4-Oxo-Butanoic Acid; 3-[[(3,4-Dichlorophenyl)-Oxomethyl]Amino]-4-(3-Methoxypropyl-Pentylamino)-4-Oxobutanoic Acid; 4-(Amyl-(3-Methoxypropyl)Amino)-3-[(3,4-Dichlorobenzoyl)Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₀H₂₈Cl₂N₂O₅
• Molecular Weight: 447.36
• CAS Registry Number: 111106-29-7
• SMILES: C1=C(C(=CC=C1C(NC(CC(=O)O)C(=O)N(CCCCC)CCCOC)=O)Cl)Cl
• InChI: 1S/C20H28Cl2N2O5/c1-3-4-5-9-24(10-6-11-29-2)20(28)17(13-18(25)26)23-19(27)14-7-8-15(21)16(22)12-14/h7-8,12,17H,3-6,9-11,13H2,1-2H3,(H,23,27)(H,25,26)
• InChIKey: OOAHJPSFFMFEKA-UHFFFAOYSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 608.174°C at 760 mmHg (Cal.)
• Flash point: 321.612°C (Cal.)