1-Piperidinecarboxylicacid, 3-bromo-4-oxo-, ethyl ester (95629-02-0)

The Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate with the CAS number 95629-02-0 is also called 1-Piperidinecarboxylicacid, 3-bromo-4-oxo-, ethyl ester. Its molecular formula is C₈H₁₂BrNO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8)ACD/KOC (pH 7.4): 35; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 50.125 cm³; (15)Molar Volume: 162.494 cm³; (16)Polarizability: 19.871×10^-24cm³; (17)Surface Tension: 48.425 dyne/cm; (18)Enthalpy of Vaporization: 56.181 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC1CN(CCC1=O)C(=O)OCC
(2)InChI: InChI=1/C8H12BrNO3/c1-2-13-8(12)10-4-3-7(11)6(9)5-10/h6H,2-5H2,1H3
(3)InChIKey: DVJZXYGZKFZHQX-UHFFFAOYAZ