1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl- supplier

Name
3-METHYLURIC ACID
EINECS 210-101-3
CAS No. 605-99-2
Article Data18
CAS DataBase
Density 1.73g/cm³
Solubility
Melting Point >349.85°C
Formula C₆H₆N₄O₃
Boiling Point 315.51°C (rough estimate)
Molecular Weight 182.139
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,9-Dihydro-3-methyl-1H-purine-2,6,8(3H)-trione;3-Methyluric acid;
PSA 103.51000
LogP -1.75680

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

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

Product Name

3-METHYLURIC ACID

1H-Purine-2,6,8(3H)-trione,7,9-dihydro-3-methyl- Specification

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