Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl 4-oxo-4H-quinolizine-1,3-dicarboxylate |
EINECS | N/A |
CAS No. | 54401-76-2 | Density | 1.3 g/cm3 |
PSA | 74.08000 | LogP | 1.65290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H15NO5 | Boiling Point | 484.1 °C at 760 mmHg |
Molecular Weight | 289.2833 | Flash Point | 246.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Dicarboethoxy-4-quinolizone; |
Article Data | 8 |
The CAS registry number of Diethyl 4-oxo-4H-quinolizine-1,3-dicarboxylate is 54401-76-2. This chemical is also named as 1,3-Dicarboethoxy-4-quinolizone. In addition, its molecular formula is C15H15NO5 and molecular weight is 289.2833. Its systematic name and IUPAC name are the same which is called diethyl 4-oxo-4H-quinolizine-1,3-dicarboxylate.
Physical properties about Diethyl 4-oxo-4H-quinolizine-1,3-dicarboxylate are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.584; (7)Molar Refractivity: 74.08 cm3; (8)Molar Volume: 221.1 cm3; (9)Surface Tension: 51.9 dyne/cm; (10)Density: 1.3 g/cm3; (11)Flash Point: 246.6 °C; (12)Enthalpy of Vaporization: 74.94 kJ/mol; (13)Boiling Point: 484.1 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2=C1\C=C/C=C\N1C(=O)/C(=C2)C(=O)OCC
(2)InChI: InChI=1/C15H15NO5/c1-3-20-14(18)10-9-11(15(19)21-4-2)13(17)16-8-6-5-7-12(10)16/h5-9H,3-4H2,1-2H3
(3)InChIKey: CCPCKLDLCGDBJZ-UHFFFAOYAN