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18905-29-8

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Basic Information
CAS No.: 18905-29-8
Name: 2-amino-6H-purin-6-one 3-oxide
Article Data: 2
Molecular Structure:
Molecular Structure of 18905-29-8 (2-amino-6H-purin-6-one 3-oxide)
Formula: C5H5 N5 O2
Molecular Weight: 167.127
Synonyms: 6H-Purin-6-one,2-amino-1,7-dihydro-, 3-oxide (9CI); Guanine, 3-oxide (8CI); Guanine 3-N-oxide;NSC 145425
Density: 2.31g/cm3
Boiling Point: 682.3°Cat760mmHg
Flash Point: 366.4°C
Safety: Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
PSA: 113.02000
LogP: -0.15690
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Chemistry

 Guanine-3-N-oxide with cas register number of 18905-29-8 is called for NCIStruc1_000260 ; NCIStruc2_000148 ; NSC145425 ; 2-Amino-6H-purin-6-one 3-oxide ; CID87841 ; 2-Amino-7H-35-purine-3,6-diol ; 6H-Purin-6-one, 2-amino-, 3-oxide ; EINECS 242-653-6 ; 2-Amino-1,7-dihydro-6H-purin-6-one 3-oxide ; 2-Amino-6-oxo-6,9-dihydro-1H-purine 3-oxide ,and so on.
IUPAC Name: 2-Amino-3-hydroxy-7H-purin-6-one
CAS: 18905-29-8
Molecular Formula: C5H3N5O2
Molecular Weight: 165.10962
Molecular structure:
EINECS: 242-653-6
ACD/BCF (pH 5.5):  1 
ACD/BCF (pH 7.4):  1 
ACD/KOC (pH 5.5):  1 
ACD/KOC (pH 7.4):  1 
H bond acceptors:  7 
H bond donors:  2 
Freely Rotating Bonds:  0 
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:  2.28 g/cm3 
Flash Point:  184.8 °C 
Enthalpy of Vaporization:  63.03 kJ/mol 
Boiling Point:  382 °C at 760 mmHg 
Vapour Pressure:  4.88E-06 mmHg at 25°C 

Uses

 Guanine-3-N-oxide (CAS No.18905-29-8) is commonly used as chemical reagent.

Toxicity Data With Reference

1.    

ipr-rat LD50:75 mg/kg

     ARPAAQ    Archives of Pathology. 86 (1968),395.

Safety Profile

 Guanine-3-N-oxide (CAS No.18905-29-8) is poisonous by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.