Molecular Structure of 2-(4-Boc-piperazinyl)-4-phenylbutanoic acid (CAS No.885274-45-3):

Molecular Formula: C₁₉H₂₈N₂O₄ 
Molecular Weight: 348.4366
CAS No: 885274-45-3
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 59.08 Å²
Index of Refraction: 1.546
Molar Refractivity: 94.94 cm³
Molar Volume: 299.7 cm³
Surface Tension: 48.1 dyne/cm
Density: 1.162 g/cm³
Flash Point: 248.7 °C
Enthalpy of Vaporization: 79.36 kJ/mol
Boiling Point: 487.6 °C at 760 mmHg
Vapour Pressure: 2.55E-10 mmHg at 25°C
InChI: InChI=1/C₁₉H₂₈N₂O₄/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,22,23)
InChIKey: QFXHCEPJOKHODN-UHFFFAOYAP
Std. InChI: InChI=1S/C₁₉H₂₈N₂O₄/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,22,23)
Std. InChIKey: QFXHCEPJOKHODN-UHFFFAOYSA-N
Product Categories: Boc-alpha-Piperazino Phenyl Acetic Acids

   2-(4-Boc-piperazinyl)-4-phenylbutanoic acid (CAS No.885274-45-3), its synonyms are 1-piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-alpha-(2-phenylethyl)- ; 2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]-4-phenylbutanoic acid ; 2-{4-[(tert-Butyl)oxycarbonyl]piperazinyl}-4-phenylbutanoic acid .