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78987-46-9

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Basic Information
CAS No.: 78987-46-9
Name: 4'-MORPHOLINOPROPIOPHENONE
Article Data: 4
Molecular Structure:
Molecular Structure of 78987-46-9 (4'-MORPHOLINOPROPIOPHENONE)
Formula: C13H17NO2
Molecular Weight: 219.28
Synonyms: 1-Propanone, 1-[4-(4-morpholinyl)phenyl]-;4'-Morpholinopropiophenone;NSC 108695;
Density: 1.092 g/cm3
Boiling Point: 387.7 °C at 760 mmHg
Flash Point: 188.3 °C
PSA: 29.54000
LogP: 2.18090
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Specification

This product is an organic compound with the formula C13H17NO2. The systematic name of this chemical is 1-(4-Morpholin-4-ylphenyl)propan-1-one. With the CAS registry number 78987-46-9, it is also named as 1-Propanone, 1-[4-(4-morpholinyl)phenyl]-. In addition, the molecular weight is 219.28. 

Physical properties of 1-(4-Morpholin-4-ylphenyl)propan-1-one are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 62.72 cm3; (9)Molar Volume: 200.7 cm3; (10)Polarizability: 24.86×10-24cm3; (11)Surface Tension: 39.9 dyne/cm; (12)Density: 1.092 g/cm3; (13)Flash Point: 188.3 °C; (14)Enthalpy of Vaporization: 63.68 kJ/mol; (15)Boiling Point: 387.7 °C at 760 mmHg; (16)Vapour Pressure: 3.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccc(N1CCOCC1)cc2)CC
(2)InChI: InChI=1S/C13H17NO2/c1-2-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3
(3)InChIKey: ZEFQETIGOMAQDT-UHFFFAOYSA-N