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Morpholine,4-[3-(3,4-dimethoxyphenyl)-3-(4- fluorophenyl)-1-oxo-2-propenyl]- (211867-47-9)

Identification
Name:Morpholine,4-[3-(3,4-dimethoxyphenyl)-3-(4- fluorophenyl)-1-oxo-2-propenyl]-
Synonyms:Flumorph;
CAS:211867-47-9
Molecular Formula: C21H22FNO4
Molecular Weight: 371.4021
InChI: InChI=1/C21H22FNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
Molecular Structure: (C21H22FNO4) Flumorph;
Properties
Flash Point: 290.3°C
Boiling Point: 556.3°Cat760mmHg
Density:1.208g/cm3
Refractive index:1.565
Specification:

The cas register number of Flumorph is 211867-47-9. It also can be called as 4-[3-(3,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-1-oxo-2-propenyl]morpholine and the IUPAC Name about this chemical is (E)-3-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one. 

Physical properties about Flumorph are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 157.15; (5)ACD/BCF (pH 7.4): 157.15; (6)ACD/KOC (pH 5.5): 1299.36; (7)ACD/KOC (pH 7.4): 1299.36; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 48Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 100.04 cm3; (13)Molar Volume: 307.3 cm3; (14)Polarizability: 39.65x10-24cm3; (15)Surface Tension: 43.3 dyne/cm; (16)Enthalpy of Vaporization: 83.79 kJ/mol; (17)Vapour Pressure: 2.05E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C(\c1ccc(F)cc1)c2ccc(OC)c(OC)c2)N3CCOCC3
(2)InChI: InChI=1/C21H22FNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
(3)InChIKey: BKBSMMUEEAWFRX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C21H22FNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3

Flash Point: 290.3°C
Safety Data
 

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