863588-32-3

Name ML-180
CAS 863588-32-3
Molecular Formula C20H25ClN4O2
MDL Number MFCD05894342
Molecular Weight 388.89
MOL File 863588-32-3.mol
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Chemical Properties

density  1.312±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO: 10 mg/ml
form  A crystalline solid
pka 9.37±0.40(Predicted)
color  Off-white to light yellow
InChI InChI=1S/C20H25ClN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27)
InChIKey CHMQQIFPOIZPIJ-UHFFFAOYSA-N
SMILES C1(=O)NC(N2CCN(C3=CC=CC(Cl)=C3)CC2)=CC(=O)N1C1CCCCC1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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