2-Methyl-2-propanyl 4-(4-bromo-2-cyanophenyl)-1-piperazinecarboxylate
[CAS# 791846-40-7]

Identification

• Name: 2-Methyl-2-propanyl 4-(4-bromo-2-cyanophenyl)-1-piperazinecarboxylate
• Synonyms: 1-Boc-4-(4-Bromo-2-cyanophenyl)piperazine; MFCD09999215; tert-butyl 4-(4-bromo-2-cyano-phenyl)piperazine-1-carboxylate
• Molecular Formula: C₁₆H₂₀BrN₃O₂
• Molecular Weight: 366.25
• CAS Registry Number: 791846-40-7
• SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2C#N)Br
• InChI: 1S/C16H20BrN3O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)14-5-4-13(17)10-12(14)11-18/h4-5,10H,6-9H2,1-3H3
• InChIKey: LAYUEAVZGYNCJR-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 471.679°C at 760 mmHg (Cal.)
• Flash point: 239.063°C (Cal.)
• Refractive index: 1.6 (Cal.)

Safety Data

• Safety Description: IRRITANT