827591-02-6

Name GSK 983)
CAS 827591-02-6
Molecular Formula C18H16ClN3O
MDL Number MFCD28978021
Molecular Weight 325.79
MOL File 827591-02-6.mol
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Chemical Properties

Boiling point  627.1±55.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: 10mg/mL, clear
form  Solid
pka 13.10±0.20(Predicted)
color  White to light yellow
Optical Rotation [α]/D +175 to +195°, c =1 in methylene chloride
InChI 1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)
InChIKey WJQBOBGVBBZLJU-UHFFFAOYSA-N
SMILES ClC1=CC=C(NC2=C3CCC[C@H]2NC(C4=NC=CC=C4)=O)C3=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2

Hazard Information

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