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| CAS No.: | 174543-74-9 |
|---|---|
| Name: | PIPERIDINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTER 3-METHYL ESTER |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C15H19NO4 |
| Molecular Weight: | 277.32 |
| Synonyms: | Methyl 1-[benzyloxycarbonyl]piperidine-3-carboxylate;Methyl N- Cbz -piperidine-3-carboxylate;Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester; |
| Density: | 1.188 g/cm3 |
| Boiling Point: | 390.418 °C at 760 mmHg |
| Flash Point: | 189.918 °C |
| PSA: | 55.84000 |
| LogP: | 2.14610 |
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Specification
The CAS registry number of 1,3-Piperidinedicarboxylicacid, 3-methyl 1-(phenylmethyl) ester is 174543-74-9. The systematic name is O1-benzyl O3-methyl piperidine-1,3-dicarboxylate. In addition, the molecular formula is C15H19NO4 and the molecular weight is 277.32. What's more, it should be stored in a cool and dry place.
Physical properties about 1,3-Piperidinedicarboxylicacid, 3-methyl 1-(phenylmethyl) ester are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.667; (6)ACD/BCF (pH 7.4): 40.667; (7)ACD/KOC (pH 5.5): 493.758; (8)ACD/KOC (pH 7.4): 493.758; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 73.014 cm3; (15)Molar Volume: 233.443 cm3; (16)Polarizability: 28.945 ×10-24cm3; (17)Surface Tension: 46.642 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 189.918 °C; (20)Enthalpy of Vaporization: 63.989 kJ/mol; (21)Boiling Point: 390.418 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C1CCCN(C1)C(=O)OCc2ccccc2
(2)InChI: InChI=1/C15H19NO4/c1-19-14(17)13-8-5-9-16(10-13)15(18)20-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3
(3)InChIKey: BMBZPWAQRLLZBC-UHFFFAOYAG