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478-61-5

Name BERBAMINE
CAS 478-61-5
EINECS(EC#) 207-523-5
Molecular Formula C37H40N2O6
MDL Number MFCD00067632
Molecular Weight 608.72
MOL File 478-61-5.mol

Chemical Properties

Melting point  198.5°C
alpha  D20 +114.6° (c = 1.0 in chloroform)
Boiling point  655.15°C (rough estimate)
density  1.1648 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  Store at -20°C, protect from light
solubility  DMSO : 125 mg/mL (205.35 mM; Need ultrasonic)
form  Powder
pka pKa (20°): 7.33 in aq methanol
color  White to yellow
InChIKey DFOCUWZXJBAUSQ-UHFFFAOYSA-N
SMILES C12C3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)C(CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C
CAS DataBase Reference 478-61-5(CAS DataBase Reference)

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