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| CAS No.: | 138163-07-2 |
|---|---|
| Name: | 4-CARBOXYMETHOXY-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER |
| Molecular Structure: | |
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| Formula: | C15H19NO5 |
| Molecular Weight: | 277.32 |
| Synonyms: | Methyl N- Cbz -piperidine-4-carboxylate;Methyl 1-Cbz-Isonipecotate; |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 493.8 °C at 760 mmHg |
| Flash Point: | 252.4 °C |
| PSA: | 55.84000 |
| LogP: | 2.14610 |
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Specification
The (1-N-Cbz-piperidin-4-yloxy)acetic acid is an organic compound with the formula C15H19NO5. The systematic name of this chemical is ({1-[(benzyloxy)carbonyl]piperidin-4-yl}oxy)acetic acid. With the CAS registry number 138163-07-2, it is also named as 4-Carboxymethoxy-piperidine-1-carboxylic acid benzyl ester. The product's category is Pharmacetical.
Physical properties about (1-N-Cbz-piperidin-4-yloxy)acetic acid are: (1)ACD/LogP: 0.98; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 76.07 Å2; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 75.49 cm3; (12)Molar Volume: 229.9 cm3; (13)Polarizability: 29.92×10-24cm3; (14)Surface Tension: 55.3 dyne/cm; (15)Density: 1.27 g/cm3; (16)Flash Point: 252.4 °C; (17)Enthalpy of Vaporization: 80.15 kJ/mol; (18)Boiling Point: 493.8 °C at 760 mmHg; (19)Vapour Pressure: 1.44E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC(OCC(O)=O)CC2
(2)InChI: InChI=1/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
(3)InChIKey: WMFVDLNUEFUSES-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
(5)Std. InChIKey: WMFVDLNUEFUSES-UHFFFAOYSA-N