56296-18-5

Name 11-Piperazinyldibenzo[b,e][1,4]diazepine
CAS 56296-18-5
Molecular Formula C17H18N4
MDL Number MFCD25121806
Molecular Weight 278.35
MOL File 56296-18-5.mol
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Chemical Properties

Melting point  230-234 °C(Solvent: Methanol)
Boiling point  470.1±55.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.8(Max Conc. mM)
Ethanol:29.61(Max Conc. mg/mL);106.39(Max Conc. mM)
form  A crystalline solid
pka 8.56±0.10(Predicted)
color  Yellow
Water Solubility  H2O: 2mg/mL, clear
InChI 1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
InChIKey JCBYXNSOLUVGTF-UHFFFAOYSA-N
SMILES C1(C=CC=C2)=C2C(N3CCNCC3)=NC(C=CC=C4)=C4N1

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 Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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