342652-67-9

Name MRK-016
CAS 342652-67-9
Molecular Formula C17H20N8O2
MDL Number MFCD18086893
Molecular Weight 368.39
MOL File 342652-67-9.mol

Chemical Properties

Melting point  175-176 °C(Solv: ethyl ether (60-29-7); methanol (67-56-1))
density  1.43±0.1 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  DMF: 2 mg/ml; DMSO: Slightly soluble; Ethanol: Slightly soluble; PBS (pH 7.2): 0.2 mg/ml
form  A solid
pka 2.28±0.10(Predicted)
color  White to off-white
InChI 1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
InChIKey QYSYOGCIDRANAR-UHFFFAOYSA-N
SMILES CC(C)(C1=C2C=NN=C(N2N=C1OCC3=NC=NN3C)C4=NOC(C)=C4)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
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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