1-Benzoyl-4-[2,5-Bis(1-Methylethoxy)-4-Nitrophenyl]Piperazine
[CAS# 68901-00-8]

Identification

• Name: 1-Benzoyl-4-[2,5-Bis(1-Methylethoxy)-4-Nitrophenyl]Piperazine
• Synonyms: [4-(2,5-Diisopropoxy-4-Nitro-Phenyl)Piperazin-1-Yl]-Phenyl-Methanone; [4-(2,5-Diisopropoxy-4-Nitrophenyl)-1-Piperazinyl]-Phenylmethanone; [4-[4-Nitro-2,5-Di(Propan-2-Yloxy)Phenyl]Piperazin-1-Yl]-Phenyl-Methanone
• Molecular Formula: C₂₃H₂₉N₃O₅
• Molecular Weight: 427.50
• CAS Registry Number: 68901-00-8
• SMILES: C1=CC=C(C=C1)C(=O)N3CCN(C2=C(C=C(C(=C2)OC(C)C)[N+]([O-])=O)OC(C)C)CC3
• InChI: 1S/C23H29N3O5/c1-16(2)30-21-15-20(26(28)29)22(31-17(3)4)14-19(21)24-10-12-25(13-11-24)23(27)18-8-6-5-7-9-18/h5-9,14-17H,10-13H2,1-4H3
• InChIKey: IWWDKAGTBGEQKT-UHFFFAOYSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 611.413°C at 760 mmHg (Cal.)
• Flash point: 323.571°C (Cal.)