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Cas Database |
| Name |
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl- |
EINECS | 210-101-3 |
| CAS No. | 605-99-2 | Density | 1.73g/cm3 |
| PSA | 103.51000 | LogP | -1.75680 |
| Solubility | N/A | Melting Point |
>349.85°C |
| Formula | C6H6N4O3 | Boiling Point | 315.51°C (rough estimate) |
| Molecular Weight | 182.139 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4,9-Dihydro-3-methyl-1H-purine-2,6,8(3H)-trione;3-Methyluric acid; |
Article Data | 18 |
1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl- Specification
The 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-, with the CAS registry number 605-99-2, is also known as 4,9-Dihydro-3-methyl-1H-purine-2,6,8(3H)-trione. Its EINECS number is 210-101-3. This chemical's molecular formula is C6H6N4O3 and molecular weight is 182.14. What's more, its IUPAC name is 3-methyl-7,9-dihydropurine-2,6,8-trione.
Physical properties of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl- are: (1)ACD/LogP: -1.569; (2)ACD/LogD (pH 5.5): -2.68; (3)ACD/LogD (pH 7.4): -3.53; (4)#H bond acceptors: 7; (5)#Freely Rotating Bonds: 0; (6)#H bond donors: 3; (7)Polar Surface Area: 64.17.
Uses of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-: it can be used to produce 3α,6α-diamino-1-methyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione. It will need reagents conc. aq. ammonia, K3Fe(CN)6 with the reaction time of 1 hour. The yield is about 20%.
![1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl- can be used to produce 3α,6α-diamino-1-methyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione](/UserFilesUpload/Uses of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N\C2=C(/N1)C(=O)NC(=O)N2C
(2)Std. InChI: InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)
(3)Std. InChIKey: ODCYDGXXCHTFIR-UHFFFAOYSA-N
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