57961-90-7

Name Centhaquine
CAS 57961-90-7
Molecular Formula C22H25N3
Molecular Weight 331.45
MOL File 57961-90-7.mol

Chemical Properties

storage temp.  Store at -20°C
solubility  DMSO: 62.5 mg/mL (188.57 mM)
form  Solid
color  Light yellow to yellow
InChI 1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3
InChIKey UJNWGFBJUHIJKK-UHFFFAOYSA-N
SMILES CC1=CC=CC(N(CC2)CCN2CCC3=NC4=CC=CC=C4C=C3)=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4
Eye Irrit. 2
Skin Irrit. 2

Hazard Information

Supplier