(3-Bromophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
[CAS# 885273-07-4]

Identification

• Name: (3-Bromophenyl)(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid
• Synonyms: 2-(4-Boc-piperazinyl)-2-(3-bromophenyl)acetic acid; 2-(4-Boc-piperazinyl)-2-(3-bromo-phenyl)acetic acid; 2-(4-BOC-PIPERAZINYL)-2-(3-BROMO-PHENYL)ACETICACID
• Molecular Formula: C₁₇H₂₃BrN₂O₄
• Molecular Weight: 399.28
• CAS Registry Number: 885273-07-4
• SMILES: O=C(O)C(c1cccc(Br)c1)N2CCN(C(=O)OC(C)(C)C)CC2
• InChI: 1S/C17H23BrN2O4/c1-17(2,3)24-16(23)20-9-7-19(8-10-20)14(15(21)22)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)
• InChIKey: UDCVKKOJQFQQIJ-UHFFFAOYSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 480.015°C at 760 mmHg (Cal.)
• Flash point: 244.105°C (Cal.)
• Refractive index: 1.577 (Cal.)