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19962-37-9

Basic Information
CAS No.: 19962-37-9
Name: Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-
Molecular Structure:
Molecular Structure of 19962-37-9 (Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-)
Formula: C7H7N5O2
Molecular Weight: 193.16
Synonyms: Acetamide,N-(1,6-dihydro-6-oxopurin-2-yl)- (8CI);Acetamide,N-(6,7-dihydro-6-oxo-1H-purin-2-yl)- (9CI);Guanine, N-acetyl- (6CI);2-Acetylamino-6-hydroxypurine;2-N-Acetylguanine;N-Acetylguanine;
EINECS: 243-443-7
Density: 1.831 g/cm3
Melting Point: 260 °C
Boiling Point: 329.37°C (rough estimate)
Flash Point:
Solubility: practically insoluble in water
Appearance: White crystalline
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25-36-26
Transport Information:
PSA: 103.53000
LogP: -0.32240
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  • Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-

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Chemistry

IUPAC Name: N-(6-oxo-3,7-dihydropurin-2-yl)acetamide 
Following is the structure of Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- (CAS NO.19962-37-9):
                    
Empirical Formula: C7H7N5O2
Molecular Weight: 193.1628 
EINECS: 243-443-7
Index of Refraction: 1.833
Molar Refractivity: 46.49 cm3
Molar Volume: 105.5 cm3
Density: 1.83 g/cm3
Melting point: 260 °C 
Polarizability: 18.43 10-24cm3
Surface Tension: 82.1 dyne/cm
Water Solubility: practically insoluble 
Appearance of Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- (CAS NO.19962-37-9): White Crystalline
Product Categories: Nucleotides and Nucleosides; 5-FOA; Bases & Related Reagents; Nucleotides
Canonical SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N=CN2
InChI: InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
InChIKey: MXSMRDDXWJSGMC-UHFFFAOYSA-N

Toxicity Data With Reference

 Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- (CAS NO.19962-37-9) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Specification

 Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- , its cas register number 19962-37-9. It also can be called N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)acetamide ; N-2-Acetylguanine ; and N-(6-Oxo-3,7-dihydropurin-2-yl)acetamide . 
 Acetamide,N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- (CAS NO.19962-37-9) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.