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Cas Database |
| Name |
Guanine-7-oxide |
EINECS | N/A |
| CAS No. | 5227-68-9 | Density | 2.31g/cm3 |
| PSA | 113.28000 | LogP | 0.25540 |
| Solubility | N/A | Melting Point |
>300 °C |
| Formula | C5H5 N5 O2 | Boiling Point | 603.8°Cat760mmHg |
| Molecular Weight | 167.127 | Flash Point | 319°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Guanine,7-oxide (7CI,8CI); Antibiotic 3780; Antibiotic PD 113876; Guanine 7-N-oxide;NSC 353056; PD 113876 |
Article Data | 3 |
Guanine-7-oxide Chemical Properties
Guanine-7-oxide with cas register number of 5227-68-9 is also named as 2-Amino-1,9-dihydro-6H-purin-6-one 7-oxide ; 2-Amino-3,9-dihydro-6H-purin-6-one 7-oxide ; Antibiotic 3780 ; Antibiotic PD 113876 ,and so on.
IUPAC Name: 2-Amino-7-hydroxy-3H-purin-6-one
CAS: 5227-68-9
Molecular Formula: C5H5N5O2
Molecular Weight: 167.1255
Molecular structure:
ACD/LogD (pH 5.5): -0.88
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 7.9
ACD/KOC (pH 7.4): 7.86
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 1
Index of Refraction: 2.046
Molar Refractivity: 37.22 cm3
Molar Volume: 72.2 cm3
Polarizability: 14.75×10-24cm3
Surface Tension: 142.6 dyne/cm
Density: 2.31 g/cm3
Flash Point: 319 °C
Enthalpy of Vaporization: 93.11 kJ/mol
Boiling Point: 603.8 °C at 760 mmHg
Vapour Pressure: 3.56E-15 mmHg at 25°C
Guanine-7-oxide Uses
Guanine-7-oxide (CAS No.5227-68-9) is commonly used as chemical reagent.
Guanine-7-oxide Toxicity Data With Reference
| 1. | ipr-rat LD50:95 mg/kg | ADTEAS Advances in Teratology. 3 (1968),181. | ||
| 2. | ipr-mus LD50:40 mg/kg | JANTAJ Journal of Antibiotics. 38 (1985),972. |
Guanine-7-oxide Safety Profile
Guanine-7-oxide (CAS No.5227-68-9) is poisonous by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits very toxic fumes of NOx.
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