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CAS No.: | 4090-18-0 |
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Name: | Sinoacutine |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C19H21NO4 |
Molecular Weight: | 327.38 |
Synonyms: | Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-, (9α,13α)-; |
Density: | 1.33g/cm3 |
Melting Point: | 198℃ |
Boiling Point: | 532.5 °C at 760 mmHg |
Flash Point: | 275.8 °C |
PSA: | 59.00000 |
LogP: | 1.87610 |
The Sinoacutine, with the CAS registry number 4090-18-0, is also known as Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-, (9α,13α)-. This chemical's molecular formula is C19H21NO4 and molecular weight is 327.378. What's more, its systematic name is called (13α)-4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one.
Physical properties about Sinoacutine are: (1)ACD/LogP: 1.46; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 89.16 cm3; (9)Molar Volume: 245.7 cm3; (10)Surface Tension: 59.3 dyne/cm; (11)Density: 1.33 g/cm3; (12)Flash Point: 275.8 °C; (13)Enthalpy of Vaporization: 83.86 kJ/mol; (14)Boiling Point: 532.5 °C at 760 mmHg; (15)Vapour Pressure: 5.93E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1C(\OC)=C/[C@]42/C(=C/1)[C@H](N(CC2)C)Cc3ccc(OC)c(O)c34
(2) InChI: InChI=1/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19-/m0/s1
(3) InChIKey: GVTRUVGBZQJVTF-DJJJIMSYBU