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| CAS No.: | 67449-23-4 |
|---|---|
| Name: | 8-methylquinazoline-2,4(1H,3H)-dione |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C9H8N2O2 |
| Molecular Weight: | 176.175 |
| Synonyms: | 2,4-Quinazolinediol,8-methyl- (6CI);2,4-Dihydroxy-8-methylquinazoline;8-Methyl-1,2,3,4-tetrahydro-2,4-quinazolinedione;NSC 338216;y-Thymine-m;yT-m;yT-methyl; |
| Density: | 1.28 g/cm3 |
| Melting Point: | 283 °C |
| Boiling Point: | 485.2 °C at 760 mmHg |
| Flash Point: | 247.2 °C |
| PSA: | 65.72000 |
| LogP: | 0.52480 |
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- Total:22 Page 1 of 1 1
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Specification
The 2,4(1H,3H)-Quinazolinedione,8-methyl-, with the CAS registry number 67449-23-4, is also known as NSC338216. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17202. Its IUPAC name is called 8-methyl-1H-quinazoline-2,4-dione.
Physical properties of 2,4(1H,3H)-Quinazolinedione,8-methyl-: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 3.45; (5)ACD/BCF (pH 7.4): 3.45; (6)ACD/KOC (pH 5.5): 84.43; (7)ACD/KOC (pH 7.4): 84.38; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 45.59 cm3; (12)Molar Volume: 137.5 cm3; (13)Surface Tension: 45.6 dyne/cm; (14)Density: 1.28 g/cm3; (15)Flash Point: 247.2 °C; (16)Enthalpy of Vaporization: 77.92 kJ/mol; (17)Boiling Point: 485.2 °C at 760 mmHg; (18)Vapour Pressure: 4.87E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC2=C1NC(=O)NC2=O
(2)InChI: InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13)
(3)InChIKey: WFDHXKXFTSQIMG-UHFFFAOYSA-N