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| CAS No.: | 1095010-45-9 |
|---|---|
| Name: | Methyl 1-Cbz-5-Hydroxypiperidine-3-carboxylate |
| Article Data: | 1 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C15H19NO5 |
| Molecular Weight: | 293.32 |
| Synonyms: | 1-Benzyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate;1-O-benzyl 3-O-methyl 5-hydroxypiperidine-1,3-dicarboxylate; |
| Density: | 1.272 g/cm3 |
| Boiling Point: | 436.1 °C at 760 mmHg |
| Flash Point: | 217.6 °C |
| PSA: | 76.07000 |
| LogP: | 1.11690 |
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Specification
The Methyl 1-Cbz-5-Hydroxypiperidine-3-carboxylate is an organic compound with the formula C15H19NO5. The systematic name of this chemical is O1-benzyl O3-methyl 5-hydroxypiperidine-1,3-dicarboxylate. With the CAS registry number 1095010-45-9, it is also named as 1,3-Piperidinedicarboxylic acid, 5-hydroxy-, 3-methyl 1-(phenylmethyl) ester.
The other characteristics of Methyl 1-Cbz-5-Hydroxypiperidine-3-carboxylate can be summarized as: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 76.07 ?2; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 74.6 cm3; (11)Molar Volume: 230.4 cm3; (12)Polarizability: 29.57×10-24 cm3; (13)Surface Tension: 54.1 dyne/cm; (14)Density: 1.272 g/cm3; (15)Flash Point: 217.6 °C; (16)Enthalpy of Vaporization: 73 kJ/mol; (17)Boiling Point: 436.1 °C at 760 mmHg; (18)Vapour Pressure: 2.23E-08 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:COC(=O)C1CC(CN(C1)C(=O)OCc2ccccc2)O
2. InChI:InChI=1/C15H19NO5/c1-20-14(18)12-7-13(17)9-16(8-12)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
3. InChIKey:LOGZOMIRLZGSSW-UHFFFAOYAG
4. Std. InChI:InChI=1S/C15H19NO5/c1-20-14(18)12-7-13(17)9-16(8-12)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3
5. Std. InChIKey:LOGZOMIRLZGSSW-UHFFFAOYSA-N