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Cas Database |
| Name |
2H-Pyrido[1,2-a]pyrimidine-2,4(3H)-dione |
EINECS | N/A |
| CAS No. | 22288-66-0 | Density | 1.41g/cm3 |
| PSA | 51.43000 | LogP | -0.60510 |
| Solubility | N/A | Melting Point |
305 °C (decomp) |
| Formula | C8H6N2O2 | Boiling Point | 294.9 °C at 760 mmHg |
| Molecular Weight | 162.148 | Flash Point | 132.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Oxopyrido[1,2-a]pyrimidin-1-ium-2-olate;NSC 93435; |
Article Data | 11 |
2H-Pyrido[1,2-a]pyrimidine-2,4(3H)-dione Specification
The 2H-Pyrido[1,2-a]pyrimidine-2,4(3H)-dione with cas registry number of 22288-66-0, has the systematic name of 2H-pyrido[1,2-a]pyrimidine-2,4(3H)-dione. And its IUPAC name is pyrido[1,2-a]pyrimidine-2,4-dione. Besides this, it is also called 3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-2,4-dione.
Physical properties about this chemical are: (1)ACD/LogP: -1.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.74 Å2; (7)Index of Refraction: 1.676; (8)Molar Refractivity: 43.02 cm3; (9)Molar Volume: 114.3 cm3; (10)Polarizability: 17.05×10-24cm3; (11)Surface Tension: 60.5 dyne/cm; (12)Enthalpy of Vaporization: 53.46 kJ/mol; (13)Vapour Pressure: 0.00158 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N\2C(=N/C(=O)C1)\C=C/C=C/2;
(2)InChI: InChI=1/C8H6N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-4H,5H2;
(3)InChIKey: QPMFOBIBWGLUKY-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C8H6N2O2/c11-7-5-8(12)10-4-2-1-3-6(10)9-7/h1-4H,5H2;
(5)Std. InChIKey: QPMFOBIBWGLUKY-UHFFFAOYSA-N
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