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N-Cbz-3-piperidineacetic acid methyl ester

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Name

N-Cbz-3-piperidineacetic acid methyl ester

EINECS N/A
CAS No. 86827-08-9 Density 1.149g/cm3
PSA 55.84000 LogP 2.53620
Solubility N/A Melting Point 1.149 g/cm3
Formula C16H21NO4 Boiling Point 402.9 °C at 760 mmHg
Molecular Weight 291.34 Flash Point 197.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 86827-08-9 (METHYL N-CBZ-3-PIPERIDINEACETATE) Hazard Symbols N/A
Synonyms

Methyl N-Cbz-3-piperidylacetate;

Article Data 2

N-Cbz-3-piperidineacetic acid methyl ester Specification

The N-Cbz-3-piperidineacetic acid methyl ester is an organic compound with the formula C16H21NO4. The IUPAC name of this chemical is benzyl 3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate. With the CAS registry number 86827-08-9, it is also named as Methyl 3-(N-Cbz-piperidinoxy)acetate.

Physical properties about this chemical are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 36.14; (5)ACD/BCF (pH 7.4): 36.14; (6)ACD/KOC (pH 5.5): 453.72; (7)ACD/KOC (pH 7.4): 453.72; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.84 Å2; (11)Index of Refraction: 1.526; (12) Molar Refractivity: 77.79 cm3; (13)Molar Volume: 253.3 cm3; (14)Polarizability: 30.84×10-24cm3; (15)Surface Tension: 43.3 dyne/cm; (16)Density: 1.149 g/cm3; (17)Flash Point: 197.5 °C; (18)Enthalpy of Vaporization: 65.41 kJ/mol; (19)Boiling Point: 402.9 °C at 760 mmHg; (20)Vapour Pressure: 1.06E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(CC(=O)OC)C2 
(2)InChI: InChI=1/C16H21NO4/c1-20-15(18)10-14-8-5-9-17(11-14)16(19)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
(3)InChIKey: UZEBBOFZASZVBP-UHFFFAOYAK  
(4)Std. InChI: InChI=1S/C16H21NO4/c1-20-15(18)10-14-8-5-9-17(11-14)16(19)21-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3
(5)Std. InChIKey: UZEBBOFZASZVBP-UHFFFAOYSA-N

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