2-(4-Boc-Piperazinyl)-2-phenylacetic acid

The 2-(4-Boc-Piperazinyl)-2-phenylacetic acid, with the CAS registry number 347186-49-6, is also known as 2-{4-[(tert-Butyl)oxycarbonyl]piperazinyl}-2-phenylacetic acid. It belongs to the product categories of Boc-alpha-Piperazino Phenyl Acetic Acids; OthersBuilding Blocks; Peptide Synthesis; Unnatural Amino Acid Derivatives; Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C₁₇H₂₄N₂O₄ and molecular weight is 320.38. Its systematic name is called [4-(tert-butoxycarbonyl)piperazin-1-yl](phenyl)acetic acid.

Physical properties of 2-(4-Boc-Piperazinyl)-2-phenylacetic acid: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.96; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 85.76 cm³; (14)Molar Volume: 265.9 cm³; (15)Surface Tension: 50.6 dyne/cm; (16)Density: 1.204 g/cm³; (17)Melting Point: 200-204 °C; (18)Flash Point: 217.6 °C; (19)Enthalpy of Vaporization: 73 kJ/mol; (20)Boiling Point: 436.2 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause sensitisation by skin contact. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). Whenever you wil contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccccc1)N2CCN(C(=O)OC(C)(C)C)CC2
(2)InChI: InChI=1/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)
(3)InChIKey: QPEHPIVVAWESTM-UHFFFAOYAT