485-91-6

Name ALLOCRYPTOPINE
CAS 485-91-6
EINECS(EC#) 207-626-5
Molecular Formula C21H23NO5
MDL Number MFCD00022318
Molecular Weight 369.41
MOL File 485-91-6.mol
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Chemical Properties

Melting point  160～161℃
Boiling point  552.7±50.0 °C(Predicted)
density  1.216±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  Solid
pka 7.86±0.20(Predicted)
color  White to Pale Brown
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
InChIKey HYBRYAPKQCZIAE-UHFFFAOYSA-N
SMILES N1(C)CC2=C(OC)C(OC)=CC=C2CC(=O)C2C=C3OCOC3=CC=2CC1

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