1-Piperazinecarboxylicacid, 4-methyl-, 1,1-dimethylethyl ester (53788-49-1)

The 1-Boc-4-methylpiperazine, with the cas registry number 53788-49-1, has the systematic name of tert-butyl 4-methylpiperazine-1-carboxylate. It is a kind of colorless oil, and belongs to the following product categories: Piperidines, Piperidones, Piperazines; Heterocyclic Compounds; Heterocycles; Intermediates. And the molecular formula of the chemical is C₁₀H₂₀N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 2.08; (7)ACD/KOC (pH 7.4): 52.9; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 32.78 Å²; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 55.1 cm³; (14)Molar Volume: 195.7 cm³; (15)Polarizability: 21.84×10^-24cm³; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 1.023 g/cm³; (18)Flash Point: 107.9 °C; (19)Enthalpy of Vaporization: 49.22 kJ/mol; (20)Boiling Point: 254.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0169 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1CCN(C)CC1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-7-5-11(4)6-8-12/h5-8H2,1-4H3
(3)InChIKey: CJDYFMIDIQXELO-UHFFFAOYAD