5843-65-2

Name Demethyl-Coclaurine
CAS 5843-65-2
Molecular Formula C16H17NO3
MDL Number MFCD01736979
Molecular Weight 271.314
MOL File 5843-65-2.mol

Chemical Properties

Melting point  208-210 °C
Boiling point  522.4±50.0 °C(Predicted)
density  1.317±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 9.72±0.40(Predicted)
color  White to Off-White
InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2
InChIKey WZRCQWQRFZITDX-UHFFFAOYSA-N
SMILES C1(CC2=CC=C(O)C=C2)C2=C(C=C(O)C(O)=C2)CCN1

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