1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE

The CAS register number of 1-Piperazinecarboxylicacid, 4-(4-formylphenyl)-, 1,1-dimethylethyl ester is 197638-83-8. It also can be called as 4-(4-tert-Butoxycarbonyl)piperazinebenzaldehyde and the IUPAC name about this chemical is tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate. The molecular formula about this chemical is C₁₆H₂₂N₂O₃ and the molecular weight is 290.36. It belongs to the Piperazines.

Physical properties about 1-Piperazinecarboxylicacid, 4-(4-formylphenyl)-, 1,1-dimethylethyl ester are: (1)CD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 12.35; (5)ACD/BCF (pH 7.4): 12.36; (6)ACD/KOC (pH 5.5): 210.31; (7)ACD/KOC (pH 7.4): 210.47; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 49.85Ų; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 81.59 cm³; (13)Molar Volume: 251.6 cm³; (14)Polarizability: 32.34x10^-24cm³; (15)Surface Tension: 46.3 dyne/cm; (16)Flash Point: 220.8 °C; (17)Enthalpy of Vaporization: 69.87 kJ/mol; (18)Boiling Point: 441.4 °C at 760 mmHg; (19)Vapour Pressure: 5.44E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCN(c1ccc(C=O)cc1)CC2
(2)InChI: InChI=1/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12H,8-11H2,1-3H3
(3)InChIKey: KHORERZDMJTBMR-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12H,8-11H2,1-3H3
(5)Std. InChIKey: KHORERZDMJTBMR-UHFFFAOYSA-N