Products Categories
CAS No.: | 55441-71-9 |
---|---|
Name: | 9-METHYLURIC ACID |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H6N4O3 |
Molecular Weight: | 182.139 |
Synonyms: | 9-Methyl-3,7-dihydropurine-2,6,8-trione;9-Methyluric acid; |
EINECS: | 259-641-1 |
Density: | 1.73g/cm3 |
Boiling Point: | 315.51°C (rough estimate) |
Solubility: | 546.1mg/L(temperature not stated) |
Appearance: | White to light yellow powder |
Safety: | 22-24/25 |
PSA: | 103.51000 |
LogP: | -1.75680 |
The 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-9-methyl-, with the CAS registry number 55441-71-9, is also known as 9-Methyluric acid. Its EINECS number is 259-641-1. This chemical's molecular formula is C6H6N4O3 and molecular weight is 182.14. What's more, its IUPAC name is 9-methyl-3,7-dihydropurine-2,6,8-trione. When you are using this chemical, please be cautious about it. Do not breathe dust. What's more, you should avoid contact with skin and eyes.
Physical properties of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-9-methyl- are: (1)ACD/LogP: -1.042; (2)ACD/LogD (pH 5.5): -1.65; (3)ACD/LogD (pH 7.4): -2.9; (4)#H bond acceptors: 7; (5)#Freely Rotating Bonds: 0; (6)#H bond donors: 3; (7)Polar Surface Area: 64.17.
Preparation: this chemical can be prepared by 9-methyl-8-nitro-3,9-dihydro-purine-2,6-dione at the temperature of 80-90°C. This reaction will need reagent NaOH with the reaction time of 2 hours. The yield is about 35%.
Uses of 1H-Purine-2,6,8(3H)-trione,7,9-dihydro-9-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 32%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C2=C(/NC(=O)N1)N(C(=O)N2)C
(2)Std. InChI: InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
(3)Std. InChIKey: XJEJWDFDVPDMAS-UHFFFAOYSA-N