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Cas Database |
| Name |
(2a,6a,8a,9ab)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one |
EINECS | N/A |
| CAS No. | 115956-07-5 | Density | 1.28 g/cm3 |
| PSA | 40.54000 | LogP | 0.11090 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15NO2 | Boiling Point | 356.2 °C at 760 mmHg |
| Molecular Weight | 181.235 | Flash Point | 169.2 °C |
| Transport Information | N/A | Appearance | White or Whitish Powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(2alpha,6alpha,8alpha,9alphabeta)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one;endo-Hexahydro-hydroxy-2,6-methano-2H-quinolizin-3-(4H)-one; |
Article Data | 6 |
(2a,6a,8a,9ab)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one Chemical Properties
Molecular Structure of (2alpha,6alpha,8alpha,9alphabeta)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one (CAS NO.115956-07-5):
.gif)
Systematic Name: (6R,8R,9alphaS)-8-Hydroxyhexahydro-2H-2,6-methanoquinolizin-3(4H)-one
Molecular Formula: C10H15NO2
Molecular Weight: 181.23
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 40.54 Å2
Index of Refraction: 1.589
Molar Refractivity: 47.66 cm3
Molar Volume: 141.3 cm3
Surface Tension: 53.4 dyne/cm
Density: 1.28 g/cm3
Flash Point: 169.2 °C
Enthalpy of Vaporization: 69.63 kJ/mol
Boiling Point: 356.2 °C at 760 mmHg
Vapour Pressure: 1.67E-06 mmHg at 25 °C
Product Categories: INTERMEDIATESOFDOLASETRONMESYLATE; (intermediate of dolasetron)
SMILES: C1C2CC3CC(CC1N3CC2=O)O
InChI: InChI=1/C10H15NO2/c12-9-3-7-1-6-2-8(4-9)11(7)5-10(6)13/h6-9,12H,1-5H2/t6?,7-,8+,9+
InChIKey: NEDMCWSHHDYQAJ-MVKSNQHABL
(2a,6a,8a,9ab)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one Specification
(2alpha,6alpha,8alpha,9alphabeta)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one (CAS NO.115956-07-5), its Synonyms are endo-Hexahydro-hydroxy-2,6-methano-2H-quinolizin-3-(4H)-one ; Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin(4H)-one ; 2,6-Methano-2H-quinolizin-3(4H)-one,hexahydro-8-hydroxy-, stereoisomer .
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