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| CAS No.: | 21133-52-8 |
|---|---|
| Name: | Dihydrogalanthamine |
| Molecular Structure: | |
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| Formula: | C17H23NO3 |
| Molecular Weight: | 289.37 |
| Synonyms: | 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-ol,4a,5,7,8,9,10,11,12-octahydro-3-methoxy-11-methyl-, (4aS,6S,8aS)- (9CI);Galanthamine, 1,2-dihydro-;Galanthamine, dihydro- (6CI);Lycoramine (7CI,8CI);1,2-Dihydrogalanthamine;Dihydrogalanthamine; |
| Density: | 1.25 g/cm3 |
| Melting Point: | 122-124°C |
| Boiling Point: | 436.4°C at 760 mmHg |
| Flash Point: | 217.7°C |
| PSA: | 41.93000 |
| LogP: | 2.01220 |
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Specification
The Dihydrogalanthamine with the cas number 21133-52-8 is also called (4aS,6S,8aS)-4a,5,7,8,9,10,11,12-Octahydro-3-methoxy-11-methyl-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol. The molecular formula of this chemical is C17H23NO3. Its product Category is Alkaloids.
The properties of the chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 30.93 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 80.4 cm3; (9)Molar Volume: 230.6 cm3; (10)Polarizability: 31.87×10-24cm3; (11)Surface Tension: 54.5 dyne/cm; (12)Enthalpy of Vaporization: 73.03 kJ/mol; (13)Vapour Pressure: 2.17×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]2CC[C@]41c3c(ccc(OC)c3O[C@H]1C2)CN(CC4)C
(2)InChI: InChI=1/C17H23NO3/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/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1
(3)InChIKey: GJRMHIXYLGOZSE-JDFRZJQEBC