198283-73-7

Name ABT-594
CAS 198283-73-7
Molecular Formula C9H11ClN2O
Molecular Weight 198.652
MOL File 198283-73-7.mol
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Chemical Properties

Melting point  116-117 °C
Boiling point  321.1±22.0 °C(Predicted)
density  1.228±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  H2O: 2 mg/mL, clear
form  powder
pka 10.05±0.40(Predicted)
color  white to beige
Water Solubility  H2O: 2mg/mL, clear
InChI 1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
InChIKey MKTAGSRKQIGEBH-SSDOTTSWSA-N
SMILES Clc1ncc(cc1)OC[C@@H]2NCC2

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H336
Precautionary statements  P261-P271-P304+P340+P312-P403+P233-P405-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications STOT SE 3
Toxicity
mouse,LD50,intraperitoneal,3794ug/kg (3.794mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,European Journal of Pharmacology. Vol. 346, Pg. 23, 1998.

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