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| CAS No.: | 57611-47-9 |
|---|---|
| Name: | 1-Benzyl-3-Methoxycarbonyl-4-Piperidone |
| Molecular Structure: | |
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| Formula: | C14H17NO3 |
| Molecular Weight: | 247.294 |
| Synonyms: | Nipecoticacid, 1-benzyl-4-oxo-, methyl ester (6CI);1-Benzyl-3-(methoxycarbonyl)-4-piperidone;1-Benzyl-4-oxopiperidine-3-carboxylic acid methyl ester;Methyl1-benzyl-4-oxo-3-piperidinecarboxylate;Methyl 1-benzyl-4-oxonipecotate;N-Benzyl-3-methoxycarbonyl-4-piperidone;N-Benzyl-4-oxonipecotic acid methylester; |
| Density: | 1.177 g/cm3 |
| Melting Point: | 182℃ |
| Boiling Point: | 366 °C at 760 mmHg |
| Flash Point: | 175.2 °C |
| Appearance: | Yellow solid |
| PSA: | 46.61000 |
| LogP: | 1.18850 |
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- Total:35 Page 1 of 1 1
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Specification
The CAS register number of N-Benzyl-3-carbomethoxy-4-piperidone is 57611-47-9. It also can be called as 3-Piperidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, methyl ester and the IUPAC name about this chemical is 5,7-dibromo-2-phenyl-1H-indole. The molecular formula about this chemical is C14H17NO3 and the molecular weight is 247.29. It belongs to the Pharmacetical.
Physical properties about N-Benzyl-3-carbomethoxy-4-piperidone are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): 1.3; (4)ACD/BCF (pH 5.5): 1.78; (5)ACD/BCF (pH 7.4): 5.72; (6)ACD/KOC (pH 5.5): 37.37; (7)ACD/KOC (pH 7.4): 120.21; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 66.87 cm3; (13)Molar Volume: 209.9 cm3; (14)Polarizability: 26.51x10-24cm3; (15)Surface Tension: 46.9 dyne/cm; (16)Enthalpy of Vaporization: 61.24 kJ/mol; (17)Boiling Point: 366 °C at 760 mmHg; (18)Vapour Pressure: 1.5E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CCN(Cc1ccccc1)CC2C(=O)OC
(2)InChI: InChI=1/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
(3)InChIKey: PHTILULPLFUXPS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
(5)Std. InChIKey: PHTILULPLFUXPS-UHFFFAOYSA-N