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| CAS No.: | 201478-72-0 |
|---|---|
| Name: | 3-FORMYL-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER |
| Molecular Structure: | |
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|
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| Formula: | C14H17NO3 |
| Molecular Weight: | 247.294 |
| Synonyms: | 1-Cbz-3-Piperidinecarboxaldehyde;benzyl 3-formylpiperidine-1-carboxylate; |
| Density: | 1.222 g/cm3 |
| Boiling Point: | 384.503 °C at 760 mmHg |
| Flash Point: | 186.341 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 46.61000 |
| LogP: | 2.17200 |
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Specification
The N-Cbz-3-piperidinylcarboxaldehyde with the cas number 201478-72-0, is also called benzyl 3-formylpiperidine-1-carboxylate. The properties of the chemical are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 237; (8)ACD/KOC (pH 7.4): 237; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 68.672 cm3; (15)Molar Volume: 202.407 cm3; (16)Polarizability: 27.224×10-24cm3; (17)Surface Tension: 55.873 dyne/cm; (18)Enthalpy of Vaporization: 63.318 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(C=O)C2
(2)InChI: InChI=1/C14H17NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2