ACP-105
Bezeichnung:ACP-105
CAS-Nr899821-23-9
Englisch Name:ACP-105
CBNumberCB53041731
SummenformelC16H19ClN2O
Molgewicht290.79
MOL-Datei899821-23-9.mol
ACP-105 physikalisch-chemischer Eigenschaften
Schmelzpunkt | 160 °C |
Siedepunkt | 479.8±45.0 °C(Predicted) |
Dichte | 1.28±0.1 g/cm3(Predicted) |
storage temp. | Refrigerator |
Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Aggregatzustand | Solid |
pka | 14.78±0.20(Predicted) |
Farbe | Off-White to Pale Beige |
InChI | InChI=1/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13+,16+ |
InChIKey | OUEODVPKPRQETQ-VIKVFOODNA-N |
SMILES | CC1C(=C(C#N)C=CC=1N1[C@@H]2C[C@](O)(C)C[C@H]1CC2)Cl |&1:10,12,16,r| |