1801747-42-1

Name SHP099
CAS 1801747-42-1
Molecular Formula C16H19Cl2N5
MDL Number MFCD29059453
Molecular Weight 352.26
MOL File 1801747-42-1.mol
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Chemical Properties

Boiling point  530.4±50.0 °C(Predicted)
density  1.326±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Water:1.0(Max Conc. mg/mL);2.84(Max Conc. mM)
DMSO:21.0(Max Conc. mg/mL);34.07(Max Conc. mM)
form  A crystalline solid
pka 9.05±0.20(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
InChIKey YGUFCDOEKKVKJK-UHFFFAOYSA-N
SMILES C1(N)=NC(N2CCC(N)(C)CC2)=CN=C1C1=CC=CC(Cl)=C1Cl

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information

Spectrum Detail

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