486-39-5

Name coclaurine
CAS 486-39-5
Molecular Formula C17H19NO3
Molecular Weight 285.34
MOL File 486-39-5.mol
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Chemical Properties

Melting point  220-221°
Boiling point  427.77°C (rough estimate)
density  1.0864 (rough estimate)
refractive index  1.5400 (estimate)
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 10.00±0.15(Predicted)
color  White to off-white
InChI InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m0/s1
InChIKey LVVKXRQZSRUVPY-HNNXBMFYSA-N
SMILES [C@H]1(CC2=CC=C(O)C=C2)C2=C(C=C(OC)C(O)=C2)CCN1

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