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162148-48-3

Name 1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
CAS 162148-48-3
Molecular Formula C20H40N4O4
MDL Number MFCD09263303
Molecular Weight 400.56
MOL File 162148-48-3.mol
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Chemical Properties

Boiling point  488.6±45.0 °C(Predicted)
density  0.998±0.06 g/cm3(Predicted)
storage temp.  under inert gas (nitrogen or Argon) at 2–8 °C
solubility  soluble in Chloroform, Dichloromethane, Diethyl Ether
form  Solid
pka 9.83±0.20(Predicted)
color  Pale-Yellow
Water Solubility  Soluble in acetone, acetonitrile, ethyl Acetate, chloroforme, cyclohexane. Insoluble in water.
Sensitive  Hygroscopic
InChI InChI=1S/C20H40N4O4/c1-19(2,3)27-17(25)15-23-11-7-21-9-13-24(14-10-22-8-12-23)16-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3
InChIKey OERWIIJOLSXGAQ-UHFFFAOYSA-N
SMILES N1(CC(OC(C)(C)C)=O)CCNCCN(CC(OC(C)(C)C)=O)CCNCC1

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280g-P305+P351+P338

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