158985-00-3

Name L-745,870 TRIHYDROCHLORIDE
CAS 158985-00-3
Molecular Formula C18H19ClN4
MDL Number MFCD01074795
Molecular Weight 326.82
MOL File 158985-00-3.mol

Chemical Properties

Boiling point  571.4±50.0 °C(Predicted)
density  1.31±0.1 g/cm3(Predicted)
storage temp.  Desiccate at +4°C
solubility  DMSO:16.5(Max Conc. mg/mL);50.49(Max Conc. mM)
form  Solid
pka 8.20±0.20(Predicted)
color  White to off-white
Water Solubility  water: soluble
InChI 1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
InChIKey OGJGQVFWEPNYSB-UHFFFAOYSA-N
SMILES Clc1ccc(cc1)N2CCN(CC2)Cc3c4c([nH]c3)nccc4

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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