-
Name
7H-Purine, 3-oxide (9CI)
- EINECS
- CAS No. 28199-55-5
- Density 1.74g/cm3
- Solubility
- Melting Point
- Formula C5H4 N4 O
- Boiling Point 343.2°Cat760mmHg
- Molecular Weight 136.113
- Flash Point 161.4°C
- Transport Information
- Appearance
- Safety Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 7H-Purine,3-oxide (9CI); Purine, 3-oxide (8CI); Purine 3-oxide
- PSA 67.03000
- LogP 0.38640
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 .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View