544478-19-5

Name MRS 1845
CAS 544478-19-5
Molecular Formula C21H22N2O6
MDL Number MFCD06798381
Molecular Weight 398.41
MOL File 544478-19-5.mol
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Chemical Properties

Boiling point  511.0±50.0 °C(Predicted)
density  1.238±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: 13 mg/mL at 60 °C, soluble
form  solid
pka 0.03±0.70(Predicted)
color  yellow
InChI 1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3
InChIKey BITHABUTZRAUGT-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(C)N(CC#C)C(C)=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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