Methyl-9,10-didehydro-6-methylergolin-8β-carboxylat
Bezeichnung:Methyl-9,10-didehydro-6-methylergolin-8β-carboxylat
CAS-Nr4579-64-0
Englisch Name:D-Lysergic Acid Methyl Ester
CBNumberCB0386447
SummenformelC17H18N2O2
Molgewicht282.34
MOL-Datei4579-64-0.mol
Synonyma
Methyl-9,10-didehydro-6-methylergolin-8β-carboxylat
Methyl-9,10-didehydro-6-methylergolin-8β-carboxylat physikalisch-chemischer Eigenschaften
Schmelzpunkt | 164-166 °C(Solv: benzene (71-43-2)) |
Siedepunkt | 469.0±45.0 °C(Predicted) |
Dichte | 1.30±0.1 g/cm3(Predicted) |
storage temp. | -20°C Freezer |
Löslichkeit | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Aggregatzustand | Solid |
pka | 17.25±0.40(Predicted) |
Farbe | Pale Grey to Black |
InChI | InChI=1/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3/t11?,15-/s3 |
InChIKey | RNHDWLRHUJZABX-RXHCFGRJNA-N |
SMILES | C12C3C=CC=C4NC=C(C[C@@]1([H])N(C)CC(C(OC)=O)C=2)C=34 |&1:10,r| |