35121-60-9

Name 10-methoxy-6-methylergoline-8beta-methanol
CAS 35121-60-9
EINECS(EC#) 252-385-1
Molecular Formula C17H22N2O2
Molecular Weight 286.38
MOL File 35121-60-9.mol
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Chemical Properties

Melting point  150-152°C (dec.)
Boiling point  456.8±45.0 °C(Predicted)
density  1.27±0.1 g/cm3(Predicted)
vapor pressure  0.002Pa at 20℃
storage temp.  Refrigerator
solubility  Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 14.87±0.10(Predicted)
color  Pale Orange to Light Brown
Water Solubility  440mg/L at 20℃
InChI InChI=1/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17+/s3
InChIKey JGQZSBLQHCTAJF-RBCPHGCFNA-N
SMILES O([C@]12C[C@@H](CO)CN(C)[C@]1([H])CC1=CNC3=CC=CC2=C13)C |&1:1,3,9,r|
LogP -3.1 at 19.8℃

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