29769-49-1

Name N-(6-formyl-4-oxo-1H-pteridin-2-yl)acetamide
CAS 29769-49-1
Molecular Formula C9H7N5O3
MDL Number MFCD16251155
Molecular Weight 233.18
MOL File 29769-49-1.mol
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Chemical Properties

Melting point  >215°C (dec.)
density  1.72±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO, Methanol
form  Solid
pka 7.45±0.20(Predicted)
color  Tan
InChI InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17)
InChIKey DDBCPKAHJKOGKK-UHFFFAOYSA-N
SMILES C(NC1NC(=O)C2C(N=1)=NC=C(C=O)N=2)(=O)C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 3
HS Code  2933990099
Storage Class 11 - Combustible Solids

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