5-Nitro-3-[[4-(Phenylmethyl)Piperazin-1-Yl]Methyl]-1H-Indole
[CAS# 3414-72-0]

Identification

• Name: 5-Nitro-3-[[4-(Phenylmethyl)Piperazin-1-Yl]Methyl]-1H-Indole
• Synonyms: 5-Nitro-3-[[4-(Phenylmethyl)-1-Piperazinyl]Methyl]-1H-Indole; 3-[[4-(Benzyl)Piperazin-1-Yl]Methyl]-5-Nitro-1H-Indole; 3-((4-Benzylpiperazinyl)Methyl)-5-Nitroindole
• Molecular Formula: C₂₀H₂₂N₄O₂
• Molecular Weight: 350.42
• CAS Registry Number: 3414-72-0
• SMILES: C1=C([N+]([O-])=O)C=CC2=C1C(=C[NH]2)CN3CCN(CC3)CC4=CC=CC=C4
• InChI: 1S/C20H22N4O2/c25-24(26)18-6-7-20-19(12-18)17(13-21-20)15-23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,21H,8-11,14-15H2
• InChIKey: PKVAMSCYQLIVLR-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 541.394°C at 760 mmHg (Cal.)
• Flash point: 281.225°C (Cal.)