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| CAS No.: | 517-63-5 |
|---|---|
| Name: | Stephanine |
| Molecular Structure: | |
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| Formula: | C19H19NO3 |
| Molecular Weight: | 309.363 |
| Synonyms: | 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)-;5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]- quinoline,6,7,7a,8-tetrahydro-9-methoxy-7- methyl-,(7aR)-; |
| Density: | 1.268 g/cm3 |
| Boiling Point: | 463.6 °C at 760 mmHg |
| Flash Point: | 140.4 °C |
| PSA: | 30.93000 |
| LogP: | 3.11390 |
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Specification
The CAS register number of Stephanine is 517-63-5. It also can be called as 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)- and the systematic name about this chemical is (7aR)-9-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline. The molecular formula about this chemical is C19H19NO3 and the molecular weight is 309.363. It belongs to the following product category which includes Miscellaneous Natural Products.
Physical properties about Stephanine are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 2.49; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 18.41; (5)ACD/BCF (pH 7.4): 538.26; (6)ACD/KOC (pH 5.5): 93.93; (7)ACD/KOC (pH 7.4): 2746.09; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.93 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 86.94 cm3; (13)Molar Volume: 243.9 cm3; (14)Polarizability: 34.46x10-24cm3; (15)Surface Tension: 48.5 dyne/cm; (16)Density: 1.268 g/cm3; (17)Flash Point: 140.4 °C; (18)Enthalpy of Vaporization: 72.48 kJ/mol; (19)Boiling Point: 463.6 °C at 760 mmHg; (20)Vapour Pressure: 8.99E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OC1)c4c3c(c2)CCN([C@@H]3Cc5c(OC)cccc45)C
(2)InChI: InChI=1/C19H19NO3/c1-20-7-6-11-8-16-19(23-10-22-16)18-12-4-3-5-15(21-2)13(12)9-14(20)17(11)18/h3-5,8,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
(3)InChIKey: UEAPAHNNFSZHMW-CQSZACIVBH
(4)Std. InChI: InChI=1S/C19H19NO3/c1-20-7-6-11-8-16-19(23-10-22-16)18-12-4-3-5-15(21-2)13(12)9-14(20)17(11)18/h3-5,8,14H,6-7,9-10H2,1-2H3/t14-/m1/s1
(5)Std. InChIKey: UEAPAHNNFSZHMW-CQSZACIVSA-N