1380716-06-2

Name ML198
CAS 1380716-06-2
Molecular Formula C17H14N4O
MDL Number MFCD23134328
Molecular Weight 290.32
MOL File 1380716-06-2.mol
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Chemical Properties

density  1.20±0.1 g/cm3(Predicted)
solubility  DMSO : 5 mg/mL (17.22 mM; ultrasonic and warming and adjust pH to 2 with HCl and heat to 60°C)
form  Solid
pka 11.49±0.70(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C17H14N4O/c1-4-13-5-7-14(8-6-13)20-17(22)15-10-18-21-12(3)9-11(2)19-16(15)21/h1,5-10H,2-3H3,(H,20,22)
InChIKey HVZPJBKUFRREQC-UHFFFAOYSA-N
SMILES C12=C(C(NC3=CC=C(C#C)C=C3)=O)C=NN1C(C)=CC(C)=N2

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H319-H335-H302-H315
Precautionary statements  P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Hazard Information

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