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3056-33-5

Name N,9-Diacetylguanine
CAS 3056-33-5
EINECS(EC#) 221-287-0
Molecular Formula C9H9N5O3
MDL Number MFCD00142116
Molecular Weight 235.2
MOL File 3056-33-5.mol
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Chemical Properties

Appearance white or brownish crystalline powder
Melting point  285 °C(lit.)
density  1.67±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Aqueous Base (Slightly, Heated), DMSO (Slightly, Heated)
form  Solid
pka 8.37±0.20(Predicted)
color  White to Light Beige
InChI InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17)
InChIKey GILZZWCROUGLIS-UHFFFAOYSA-N
SMILES C(NC1NC(=O)C2=C(N=1)N(C(C)=O)C=N2)(=O)C
CAS DataBase Reference 3056-33-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
HS Code  29339900

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