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Cas Database |
| Name |
(+/-)-Narwedine |
EINECS | N/A |
| CAS No. | 1668-86-6 | Density | 1.28 g/cm3 |
| PSA | 38.77000 | LogP | 1.99640 |
| Solubility | N/A | Melting Point |
198-199 °C(Solv: ethyl acetate (141-78-6)) |
| Formula | C17H19NO3 | Boiling Point | 397.388 °C at 760 mmHg |
| Molecular Weight | 285.343 | Flash Point | 194.134 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(4aR,8aR)-3-Methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6H-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-one;dl-Narwedine; |
Article Data | 17 |
(+/-)-Narwedine Specification
The (+/-)-Narwedine, with CAS registry number 1668-86-6, has the systematic name of (4aR,8aR)-3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6H-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-one. And the chemical formula of this chemical is C17H19NO3.
Physical properties about this chemical are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 78.91 cm3; (9)Molar Volume: 222.8 cm3; (10)Polarizability: 31.28×10-24cm3; (11)Surface Tension: 54.1 dyne/cm; (12)Enthalpy of Vaporization: 64.78 kJ/mol; (13)Vapour Pressure: 1.59E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/[C@]24c3c(O[C@@H]2C1)c(OC)ccc3CN(C)CC4
(2)InChI: InChI=1/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m1/s1
(3)InChIKey: QENVUHCAYXAROT-RHSMWYFYBT
(4)Std. InChI: InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m1/s1
(5)Std. InChIKey: QENVUHCAYXAROT-RHSMWYFYSA-N
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