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| CAS No.: | 86827-08-9 |
|---|---|
| Name: | METHYL N-CBZ-3-PIPERIDINEACETATE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C16H21NO4 |
| Molecular Weight: | 291.34 |
| Synonyms: | Methyl N-Cbz-3-piperidylacetate; |
| Density: | 1.149g/cm3 |
| Melting Point: | 1.149 g/cm3 |
| Boiling Point: | 402.9 °C at 760 mmHg |
| Flash Point: | 197.5 °C |
| PSA: | 55.84000 |
| LogP: | 2.53620 |
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- Total:34 Page 1 of 1 1
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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