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CAS No.: | 2434-49-3 |
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Name: | 5,6-DIHYDRO-6-METHYLURACIL |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C5H8N2O2 |
Molecular Weight: | 128.131 |
Synonyms: | Hydrouracil,6-methyl- (6CI,7CI,8CI);4-Methyldihydrouracil;5,6-Dihydro-6-methyluracil;6-Methyl-5,6-dihydrouracil;6-Methyldihydropyrimidine-2,4(1H,3H)-dione;6-Methyldihydrouracil;Dihydro-6-methyluracil;NSC 44127; |
EINECS: | 219-421-8 |
Density: | 1.149 g/cm3 |
Melting Point: | 218-220 °C |
Boiling Point: | 314.7 °C at 760 mmHg |
Flash Point: | 191.4 °C |
Safety: | 22-24/25 |
PSA: | 58.20000 |
LogP: | 0.26200 |
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The 2,4(1H,3H)-Pyrimidinedione,dihydro-6-methyl-, with the CAS registry number 2434-49-3, is also known as Dihydro-6-methyluracil. It belongs to the product category of Pyrimidines. Its EINECS registry number is 219-421-8. This chemical's molecular formula is C5H8N2O2 and molecular weight is 128.13. Its IUPAC name is called 6-methyl-1,3-diazinane-2,4-dione. It is stable at common temperature and pressure. What's more, you must keep it away form oxides. When you are using this chemical, please be cautious about it. You should not breathe dust. In addition, you must avoid contact it with skin and eyes.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,dihydro-6-methyl-: (1)ACD/LogP: -0.34; (2)ACD/LogD (pH 5.5): -0.34; (3)ACD/LogD (pH 7.4): -0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.49; (7)ACD/KOC (pH 7.4): 15.49; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 30.11 cm3; (12)Molar Volume: 111.5 cm3; (13)Surface Tension: 32.1 dyne/cm; (14)Density: 1.149 g/cm3; (15)Flash Point: 191.4 °C; (16)Enthalpy of Vaporization: 64.44 kJ/mol; (17)Boiling Point: 314.7 °C at 760 mmHg; (18)Vapour Pressure: 3.94E-05 mmHg at 25°C.
Preparation of 2,4(1H,3H)-Pyrimidinedione,dihydro-6-methyl-: this chemical can be prepared by 6-methyl-dihydro-pyrimidine-2,4-dione. This reaction will need reagent Raney nickel and solvents dimethylformamide, ethanol. The reaction time is 2 hours with reaction temperature of 80 °C. The yield is about 75%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC(C)C1
(2)InChI: InChI=1/C5H8N2O2/c1-3-2-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
(3)InChIKey: XQLIRTZXJDEQAO-UHFFFAOYAN