CAS No.4090-18-0,Sinoacutine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4090-18-0
Name:	Sinoacutine
Article Data:	12

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

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Specification

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