3-{[(2S)-4-Benzyl-2-Piperazinyl]Methyl}-1H-Indole
[CAS# 169458-70-2]

Identification

• Name: 3-{[(2S)-4-Benzyl-2-Piperazinyl]Methyl}-1H-Indole
• Synonyms: (3S)-1-Benzyl-3-[(1H-indol-3-yl)methyl]piperazine; (3S)-3-(indol-3-ylmethyl)-1-benzylpiperazine; (S)-1-Benzyl-3-(1H-indol-3-ylmethyl)piperazine
• Molecular Formula: C₂₀H₂₃N₃
• Molecular Weight: 305.42
• CAS Registry Number: 169458-70-2
• SMILES: C1CN(C[C@@H](N1)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4
• InChI: 1S/C20H23N3/c1-2-6-16(7-3-1)14-23-11-10-21-18(15-23)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,21-22H,10-12,14-15H2/t18-/m0/s1
• InChIKey: IDIXRJMDVPQZIV-SFHVURJKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 207-209°C (Expl.)
• Boiling point: 492.3±35.0°C at 760 mmHg (Cal.)
• Flash point: 251.5±25.9°C (Cal.)
• Refractive index: 1.652 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin