Bretazenil
Bezeichnung:Bretazenil
CAS-Nr84379-13-5
Englisch Name:Bretazenil
CBNumberCB6503200
SummenformelC19H20BrN3O3
Molgewicht418.28
MOL-Datei84379-13-5.mol
Bretazenil physikalisch-chemischer Eigenschaften
Siedepunkt | 594.3±50.0 °C(Predicted) |
Dichte | 1.56±0.1 g/cm3(Predicted) |
storage temp. | 2-8°C |
Löslichkeit | DMSO: 24 mg/mL, soluble |
Aggregatzustand | solid |
pka | 0.78±0.20(Predicted) |
Farbe | white |
InChI | InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1 |
InChIKey | LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
SMILES | N12C=NC(C(OC(C)(C)C)=O)=C1[C@]1([H])CCCN1C(=O)C1=C(Br)C=CC=C12 |