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666816-98-4

Name 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 666816-98-4
EINECS(EC#) 613-975-8
Molecular Formula C10H9BrN4O2
MDL Number MFCD22126091
Molecular Weight 297
MOL File 666816-98-4.mol

Chemical Properties

Melting point  285 °C
density  1.71
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  powder to crystal
pka 8.91±0.70(Predicted)
color  White to Almost white
Major Application pharmaceutical small molecule
InChI InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
InChIKey HFZOBQSHTNNKFY-UHFFFAOYSA-N
SMILES N1(CC#CC)C2=C(N(C)C(=O)NC2=O)N=C1Br
LogP 1.25 at 20℃
CAS DataBase Reference 666816-98-4

Safety Data

HS Code  2933.99.8290

Hazard Information

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