- 3-Hydroxyxanthine
- 3-Hydroxyxanthine acetate
- 3-Hydroxyxanthine hydrate
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| Name |
3-Hydroxyxanthine acetate |
EINECS | N/A |
| CAS No. | 22052-01-3 | Density | 1.73g/cm3 |
| PSA | 110.10000 | LogP | -1.19970 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H6 N4 O4 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 210.149 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Purine-2,6-dione,3-(acetyloxy)-3,7-dihydro- (9CI); Xanthine, 3-acetoxy- (8CI); 3-Acetoxyxanthine |
3-Hydroxyxanthine acetate Chemical Properties
Molecule structure of 3-Hydroxyxanthine acetate (CAS NO.22052-01-3) :
IUPAC Name: (2,6-dioxo-7H-purin-3-yl) acetate
Molecular Weight: 210.14694 g/mol
Molecular Formula: C7H6N4O4
Density: 1.73 g/cm3
Index of Refraction: 1.657
Molar Refractivity: 44.56 cm3
Molar Volume: 121 cm3
Polarizability: 17.66*10-24 cm3
Surface Tension: 97 dyne/cm
XLogP3: -0.6
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 8
Exact Mass: 210.038905
MonoIsotopic Mass: 210.038905
Topological Polar Surface Area: 104
Heavy Atom Count: 15
Complexity: 331
Canonical SMILES: CC(=O)ON1C2=C(C(=O)NC1=O)NC=N2
InChI: InChI=1S/C7H6N4O4/c1-3(12)15-11-5-4(8-2-9-5)6(13)10-7(11)14/h2H,1H3,(H,8,9)(H,10,13,14)
InChIKey of 3-Hydroxyxanthine acetate (CAS NO.22052-01-3) : JFZOYDLNLQWKIZ-UHFFFAOYSA-N
3-Hydroxyxanthine acetate Toxicity Data With Reference
| 1. | uns-bcs 140 g/L | CNREA8 Cancer Research. 34 (1974),378. | ||
| 2. | mic-bcs 140 g/L | CNREA8 Cancer Research. 34 (1974),378. |
3-Hydroxyxanthine acetate Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
3-Hydroxyxanthine acetate Specification
3-Hydroxyxanthine acetate (CAS NO.22052-01-3) is also called 3-(Acetyloxy-3,7-dihydro)-1H-purine-2,6-dione ; 3-Acetoxyxanthine ; 1H-Purine-2,6-dione, 3-(acetyloxy)-3,7-dihydro- (9CI) ; Xanthine, 3-acetoxy- (8CI) ; Xanthine, 3-hydroxy-, acetate .
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