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| CAS No.: | 69-89-6 |
|---|---|
| Name: | 2,6-Dihydroxypurine |
| Article Data: | 123 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4N4O2 |
| Molecular Weight: | 152.112 |
| Synonyms: | 1H-Purine-2,6-dione,3,7-dihydro-;1H-Purine-2, 6-diol;9H-Purine-2,6-(1H,3H)-dione;3,7-dihydropurine-2,6-dione;Isoxanthine;USAF CB-17;2,6-Dioxo-1,2,3,6-tetrahydropurine;Xanthic oxide;1H-Purine-2,6-diol;2,6(1,3)-Purinedion;XAN;Purine-2,6(1H,3H)-dione;3,5-dihydropurine-2,6-dione;3,7-dihydro-1H-purine-2,6-dione;Pseudoxanthine;Purine-2,6-diol;1H-Purine-2,6-dione, 3,7-dihydro-;Purine-2(3H),6(1H)-dione;Xanthin;1-H-purine-2,6-dione, 3,7-dihydro(9CI);2,6-Dihydroxypurine; |
| EINECS: | 200-718-6 |
| Density: | 1.94 g/cm3 |
| Melting Point: | 300 °C |
| Boiling Point: | 834.9 °C at 760 mmHg |
| Flash Point: | 458.7 °C |
| Solubility: | NH4OH: freely soluble |
| Appearance: | White to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36-43 |
| Safety: | 36/37 |
| PSA: | 94.40000 |
| LogP: | -1.06050 |
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| Conditions | Yield |
|---|---|
| With perchloric acid at 110 - 130℃; for 0.25h; | 69% |
| enzymatische Bildung; | |
| With nitric acid |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium hypochlorite |
| Conditions | Yield |
|---|---|
| With sodium metabisulfite; formic acid at 180℃; | |
| With sodium metabisulfite; formic acid at 180℃; |
| Conditions | Yield |
|---|---|
| With calcium hydroxide; water Erhitzen bis zur beginnenden Gasentwicklung; |
| Conditions | Yield |
|---|---|
| at 200℃; |
- 69-93-2
uric Acid
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
A
- 68-94-0
1,7-dihydro-6H-purin-6-one
B
- 69-89-6
xanthin
| Conditions | Yield |
|---|---|
| With water at 180 - 200℃; |
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Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Specification
Xanthine, with the CAS Number 69-89-6, is a yellowish-white, crystalline purine base. Xanthine is a purine base found in most human body tissues and fluids and in other organisms. Xanthine is a product on the pathway of purine degradation. It is created from guanine by guanine deaminase; from hypoxanthine by xanthine oxidoreductase or from xanthosine by purine nucleoside phosphorylase(PNP).
Physical properties about Xanthine are: (1)ACD/LogP: -0.13; (2)ACD/LogD (pH 5.5): -3.63; (3)ACD/LogD (pH 7.4): -3.63; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)Index of Refraction: 1.903; (11)Molar Refractivity: 36.566 cm3; (12)Molar Volume: 78.403 cm3; (13)Polarizability: 14.496 10-24cm3; (14)Surface Tension: 170.186996459961 dyne/cm; (15)Density: 1.94 g/cm3; (16)Flash Point: 458.72 °C; (17)Enthalpy of Vaporization: 125.498 kJ/mol; (18)Boiling Point: 834.882 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11);
(2)InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N;
(3)Smilesc12c(c([nH]c([nH]1)=O)=O)[nH]cn2
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 3333mg/kg (3333mg/kg) | French Medicament Patent Document. Vol. #2698M, | |
| mouse | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | National Technical Information Service. Vol. AD277-689, |