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4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester Specification

This chemical is called 4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester, and its systematic name is tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate. With the molecular formula of C15H25NO5, its molecular weight is 299.36. The CAS registry number of this chemical is 479630-08-5.

Other characteristics of the 4-(2-Ethoxycarbonyl-acetyl)-piperidine-1-carboxylic acid tert-butyl ester can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 21.1; (6)ACD/BCF (pH 7.4): 21.08; (7)ACD/KOC (pH 5.5): 308.66; (8)ACD/KOC (pH 7.4): 308.35; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.91 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 76.31 cm3; (15)Molar Volume: 268.9 cm3; (16)Polarizability: 30.25×10-24cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 187.3 °C; (20)Enthalpy of Vaporization: 63.49 kJ/mol; (21)Boiling Point: 386.1 °C at 760 mmHg; (22)Vapour Pressure: 3.64E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
2.InChI: InChI=1/C15H25NO5/c1-5-20-13(18)10-12(17)11-6-8-16(9-7-11)14(19)21-15(2,3)4/h11H,5-10H2,1-4H3
3.InChIKey: CWTULLANCDLMGK-UHFFFAOYAT

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