31406-52-7

Name 4,4-DIAMINODIBENZO-18-CROWN-6 (CATALOG # 1216A)
CAS 31406-52-7
Molecular Formula C20H26N2O6
Molecular Weight 390.43
MOL File 31406-52-7.mol
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Chemical Properties

Melting point  197-199 °C
Boiling point  616.7±55.0 °C(Predicted)
density  1.184±0.06 g/cm3(Predicted)
pka 4.92±0.20(Predicted)
InChI InChI=1S/C20H26N2O6/c21-15-1-3-17-19(13-15)27-11-7-24-6-10-26-18-4-2-16(22)14-20(18)28-12-8-23-5-9-25-17/h1-4,13-14H,5-12,21-22H2
InChIKey FZBKJPIOBRHDOZ-UHFFFAOYSA-N
SMILES O1CCOCCOC2=CC(N)=CC=C2OCCOCCOC2=CC(N)=CC=C12

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P321
HS Code  2932990090

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