1-Piperazinecarboxylicacid, 2,2-dimethyl-, phenylmethyl ester (846052-89-9)

The cas register number of 2,2-Dimethyl-1-piperazinecarboxylic acid benzyl ester is 846052-89-9. It also can be called as 1-piperazinecarboxylic acid, 2,2-dimethyl-, phenylmethyl ester and the Systematic name about this chemical is benzyl 2,2-dimethylpiperazine-1-carboxylate.

Physical properties about 2,2-Dimethyl-1-piperazinecarboxylic acid benzyl ester are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 41.57 Å²; (9)Index of Refraction: 1.521; (10)Molar Refractivity: 70.12 cm³; (11)Molar Volume: 230.2 cm³; (12)Surface Tension: 37.8 dyne/cm; (13)Density: 1.078 g/cm³; (14)Flash Point: 171.3 °C; (15)Enthalpy of Vaporization: 60.52 kJ/mol; (16)Boiling Point: 359.6 °C at 760 mmHg; (17)Vapour Pressure: 2.35E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CC1(CNCCN1C(=O)OCc2ccccc2)C
2.InChI: InChI=1/C14H20N2O2/c1-14(2)11-15-8-9-16(14)13(17)18-10-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3 
3.InChIKey: SZSAOWHLVZPQOL-UHFFFAOYAA
4.Std. InChI: InChI=1S/C14H20N2O2/c1-14(2)11-15-8-9-16(14)13(17)18-10-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3.