9,10-Didehydro-6-methylergolin-8β-methanol
Bezeichnung:9,10-Didehydro-6-methylergolin-8β-methanol
CAS-Nr602-85-7
Englisch Name:LYSERGOL
CBNumberCB6220581
SummenformelC16H18N2O
Molgewicht254.33
MOL-Datei602-85-7.mol
Synonyma
9,10-Didehydro-6-methylergolin-8β-methanol
9,10-Didehydro-6-methylergolin-8β-methanol physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 248°C |
| Siedepunkt | 397.54°C (rough estimate) |
| Dichte | 1.0398 (rough estimate) |
| Brechungsindex | 1.6240 (estimate) |
| storage temp. | Store at -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly) |
| pka | 14.61±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Brown to Light Brown |
| InChI | InChI=1/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/s3 |
| InChIKey | BIXJFIJYBLJTMK-HFQWXNFCNA-N |
| SMILES | CN1C[C@H](CO)C=C2C3=CC=CC4NC=C(C3=4)C[C@@]12[H] |&1:3,18,r| |
| LogP | 1.760 (est) |
| Kennzeichnung gefährlicher | T+,T |
| R-Sätze: | 26/27/28-36/37/38-25 |
| S-Sätze: | 26-36/37/39-45-36/37 |
| RIDADR | 1544 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
