2-[4-(3,4-Dichlorophenyl)Piperazin-1-Yl]Ethyl Methyl 2,6-Dimethyl-4-(3 -Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate
[CAS# 91040-25-4]

Identification

• Name: 2-[4-(3,4-Dichlorophenyl)Piperazin-1-Yl]Ethyl Methyl 2,6-Dimethyl-4-(3 -Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate
• Synonyms: 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[4-(3,4-Dichlorophenyl)-1-Piperazinyl]Ethyl] O5-Methyl Ester; 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[4-(3,4-Dichlorophenyl)Piperazin-1-Y
• Molecular Formula: C₂₈H₃₀Cl₂N₄O₆
• Molecular Weight: 589.47
• CAS Registry Number: 91040-25-4
• SMILES: C1=C([N+]([O-])=O)C=CC=C1C2C(=C(NC(=C2C(OC)=O)C)C)C(OCCN4CCN(C3=CC=C(Cl)C(=C3)Cl)CC4)=O
• InChI: 1S/C28H30Cl2N4O6/c1-17-24(27(35)39-3)26(19-5-4-6-21(15-19)34(37)38)25(18(2)31-17)28(36)40-14-13-32-9-11-33(12-10-32)20-7-8-22(29)23(30)16-20/h4-8,15-16,26,31H,9-14H2,1-3H3
• InChIKey: IGOSKUGZRLFXGI-UHFFFAOYSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 728.704°C at 760 mmHg (Cal.)
• Flash point: 394.506°C (Cal.)