2-Methyl-2-propanyl (2S)-2-(1H-indol-3-ylmethyl)-1-piperazinecarboxylate
[CAS# 947685-14-5]

Identification

• Name: 2-Methyl-2-propanyl (2S)-2-(1H-indol-3-ylmethyl)-1-piperazinecarboxylate
• Synonyms: (2S)-1-(tert-Butoxycarbonyl)-2-[(1H-indol-3-yl)methyl]piperazine; (2S)-2-[(1H-Indol-3-yl)methyl]piperazine, N1-BOC protected; (S)-1-Boc-2-(3-indolylmethyl)piperazine
• Molecular Formula: C₁₈H₂₅N₃O₂
• Molecular Weight: 315.41
• CAS Registry Number: 947685-14-5
• SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CC2=CNC3=CC=CC=C32
• InChI: 1S/C18H25N3O2/c1-18(2,3)23-17(22)21-9-8-19-12-14(21)10-13-11-20-16-7-5-4-6-15(13)16/h4-7,11,14,19-20H,8-10,12H2,1-3H3/t14-/m0/s1
• InChIKey: SZFISJWVBISQGR-AWEZNQCLSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 482.0±25.0°C at 760 mmHg (Cal.)
• Flash point: 245.3±23.2°C (Cal.)
• Refractive index: 1.59 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: Irritant