485-19-8

Name (S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol
CAS 485-19-8
EINECS(EC#) 207-611-3
Molecular Formula C19H23NO4
Molecular Weight 329.39
MOL File 485-19-8.mol

Chemical Properties

Melting point  125-126°C
Boiling point  648.96°C (rough estimate)
density  1.4371 (rough estimate)
refractive index  1.6800 (estimate)
storage temp.  Sealed in dry,2-8°C
solubility  Soluble in DMSO
form  Solid
pka 9.95±0.10(Predicted)
color  Off-white to yellow
Optical Rotation +88.318 (c 0.21, ethanol)
InChI InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
InChIKey BHLYRWXGMIUIHG-HNNXBMFYSA-N
SMILES [C@H]1(CC2=CC=C(OC)C(O)=C2)C2=C(C=C(OC)C(O)=C2)CCN1C

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