-
Name
3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one
- EINECS
- CAS No. 503615-03-0
- Article Data13
- CAS DataBase
- Density 1.357 g/cm3
- Solubility
- Melting Point
- Formula C15H17N3O4
- Boiling Point 506.532 °C at 760 mmHg
- Molecular Weight 303.318
- Flash Point 260.141 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-morpholin-4-yl-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
- PSA 78.60000
- LogP 2.07370
5,6-Dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-2(1H)-pyridinone Specification
With the CAS registry number 503615-03-0, the systematic name of 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one is 3-(morpholin-4-yl)-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one. In addition, its molecular formula is C15H17N3O4 and its molecular weight is 303.3132.
The other characteristics of 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one can be summarized as: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 190; (8)ACD/KOC (pH 7.4): 191; (9)H bond acceptors: 7; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.6 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 79.007 cm3; (15)Molar Volume: 223.537 cm3; (16)Polarizability: 31.321×10-24cm3; (17)Surface Tension: 60.869 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 260.141 °C; (20)Enthalpy of Vaporization: 77.644 kJ/mol; (21)Boiling Point: 506.532 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=N(=O)c1ccc(cc1)N2CC\C=C(/C2=O)N3CCOCC3
(2)InChI:InChI=1/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
(3)InChIKey:LBFAEOWNWSDWRZ-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
(5)Std. InChIKey:LBFAEOWNWSDWRZ-UHFFFAOYSA-N
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