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| CAS No.: | 174543-78-3 |
|---|---|
| Name: | 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C15H19NO4 |
| Molecular Weight: | 277.32 |
| Synonyms: | 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid;1-[(Benzyloxy)carbonyl]-3-methylpiperidine-3-carboxylic acid; |
| Density: | 1.224 g/cm3 |
| Boiling Point: | 440.3 °C at 760 mmHg |
| Flash Point: | 220.1 °C |
| PSA: | 66.84000 |
| LogP: | 2.44780 |
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Specification
The 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid with the CAS number 174543-78-3 is also called 1,3-Piperidinedicarboxylicacid, 3-methyl-, 1-(phenylmethyl) ester. The systematic name is 1-benzyloxycarbonyl-3-methyl-piperidine-3-carboxylic acid. Its molecular formula is C15H19NO4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/BCF (pH 5.5): 2.86; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 37.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84 Å2; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 72.78 cm3; (14)Molar Volume: 226.5 cm3; (15)Polarizability: 28.85×10-24cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Enthalpy of Vaporization: 73.51 kJ/mol; (18)Vapour Pressure: 1.57×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CCCN(C1)C(=O)OCc2ccccc2)C(=O)O
(2)InChI: InChI=1/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
(3)InChIKey: VTRVUNGMWPPWGP-UHFFFAOYAV