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| Name |
Purine-3-oxide |
EINECS | N/A |
| CAS No. | 28199-55-5 | Density | 1.74g/cm3 |
| PSA | 67.03000 | LogP | 0.38640 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H4 N4 O | Boiling Point | 343.2°Cat760mmHg |
| Molecular Weight | 136.113 | Flash Point | 161.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7H-Purine,3-oxide (9CI); Purine, 3-oxide (8CI); Purine 3-oxide |
Purine-3-oxide Chemical Properties
Molecule structure of Purine-3-oxide (CAS NO.28199-55-5):
IUPAC Name: 3-Hydroxypurine
Molecular Weight: 136.11146 g/mol
Molecular Formula: C5H4N4O
Density: 1.74 g/cm3
Boiling Point: 343.2 °C at 760 mmHg
Flash Point: 161.4 °C
Index of Refraction: 1.836
Molar Refractivity: 34.45 cm3
Molar Volume: 78 cm3
Polarizability: 13.65×10-24 cm3
Surface Tension: 84.8 dyne/cm
Enthalpy of Vaporization: 67.99 kJ/mol
Vapour Pressure: 4.6E-06 mmHg at 25 °C
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Exact Mass: 136.038511
MonoIsotopic Mass: 136.038511
Topological Polar Surface Area: 63.8
Heavy Atom Count: 10
Complexity: 131
Canonical SMILES: C1=C2C(=NC=N2)N(C=N1)O
InChI: InChI=1S/C5H4N4O/c10-9-3-6-1-4-5(9)8-2-7-4/h1-3,10H
InChIKey: CYYQSLSRZGVVHE-UHFFFAOYSA-N
Product Categories of Purine-3-oxide (CAS NO.28199-55-5): PYRIMIDINE
Purine-3-oxide Safety Profile
Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
Purine-3-oxide Specification
Purine-3-oxide (CAS NO.28199-55-5) is also named as BRN 1210835 .
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