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Cas Database |
| Name |
Methyl 1-Cbz-5-Hydroxypiperidine-3-carboxylate |
EINECS | N/A |
| CAS No. | 1095010-45-9 | Density | 1.272 g/cm3 |
| PSA | 76.07000 | LogP | 1.11690 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H19NO5 | Boiling Point | 436.1 °C at 760 mmHg |
| Molecular Weight | 293.32 | Flash Point | 217.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Benzyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate;1-O-benzyl 3-O-methyl 5-hydroxypiperidine-1,3-dicarboxylate; |
Article Data | 1 |
Methyl 1-Cbz-5-Hydroxypiperidine-3-carboxylate 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
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