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| CAS No.: | 59119-18-5 |
|---|---|
| Name: | 1-Benzyl-4-hydroxy-4-piperidinecarboxylic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C13H17NO3 |
| Molecular Weight: | 235.283 |
| Synonyms: | 1-Benzyl-4-hydroxy-4-piperidinecarboxylicacid; |
| Density: | 1.282 g/cm3 |
| Boiling Point: | 428.3 °C at 760 mmHg |
| Flash Point: | 212.9 °C |
| PSA: | 60.77000 |
| LogP: | 1.03600 |
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Specification
The 1-Benzyl-4-hydroxy-4-piperidinecarboxylic acid, with the CAS registry number 59119-18-5, is also known as 4-Piperidinecarboxylic acid, 4-hydroxy-1-(phenylmethyl)-. This chemical's molecular formula is C13H17NO3 and molecular weight is 235.28. Its systematic name is called 1-benzyl-4-hydroxypiperidine-4-carboxylic acid.
Physical properties of 1-Benzyl-4-hydroxy-4-piperidinecarboxylic acid: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.607; (10)Molar Refractivity: 63.39 cm3; (11)Molar Volume: 183.4 cm3; (12)Surface Tension: 62.7 dyne/cm; (13)Density: 1.282 g/cm3; (14)Flash Point: 212.9 °C; (15)Enthalpy of Vaporization: 72.05 kJ/mol; (16)Boiling Point: 428.3 °C at 760 mmHg; (17)Vapour Pressure: 4.23E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C2(O)CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C13H17NO3/c15-12(16)13(17)6-8-14(9-7-13)10-11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H,15,16)
(3)InChIKey: AFPNLFVPVQRYFL-UHFFFAOYAG