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7114-31-0

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Basic Information
CAS No.: 7114-31-0
Name: 1-MORPHOLIN-4-YL-ANTHRAQUINONE
Article Data: 3
Molecular Structure:
Molecular Structure of 7114-31-0 (1-MORPHOLIN-4-YL-ANTHRAQUINONE)
Formula: C18H15NO3
Molecular Weight: 293.322
Synonyms: Anthraquinone,1-morpholino- (7CI,8CI);NSC 196449;1-(morpholin-4-yl)anthracene-9,10-dione;1-morpholin-4-ylanthracene-9,10-dione;
Density: 1.319 g/cm3
Boiling Point: 524 °C at 760 mmHg
Flash Point: 270.7 °C
PSA: 46.61000
LogP: 2.36360
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Specification

The 9,10-Anthracenedione,1-(4-morpholinyl)-, with cas registry number of 7114-31-0, has the systematic name of 1-(morpholin-4-yl)anthracene-9,10-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C18H15NO3.

The characteristics of 9,10-Anthracenedione,1-(4-morpholinyl)- are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.643; (8)Molar Refractivity: 80.47 cm3; (9)Molar Volume: 222.3 cm3; (10)Polarizability: 31.9×10-24cm3; (11)Surface Tension: 56.8 dyne/cm; (12)Density: 1.319 g/cm3; (13)Flash Point: 270.7 °C; (14)Enthalpy of Vaporization: 79.77 kJ/mol; (15)Boiling Point: 524 °C at 760 mmHg; (16)Vapour Pressure: 4.5E-11 mmHg at 25°C. 

Preparation of 9,10-Anthracenedione,1-(4-morpholinyl)-: This chemical can be prepared by morpholine and 1-di(cyclohexylamino)phosphoryloxy-9,9-dichloro-10-anthrone. And the yield is about 89%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1c4c(C(=O)c2ccccc12)c(N3CCOCC3)ccc4
(2)InChI: InChI=1/C18H15NO3/c20-17-12-4-1-2-5-13(12)18(21)16-14(17)6-3-7-15(16)19-8-10-22-11-9-19/h1-7H,8-11H2
(3)InChIKey: QTROOPIDMCZQBL-UHFFFAOYAK