| alpha |
D20 -16.5° (c 1.13 in methanol) |
| Boiling point |
579.7±50.0 °C(Predicted) |
| Density |
1.33±0.1 g/cm3(Predicted) |
| pka |
14.53±0.40(Predicted) |
| InChI |
InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1 |
| InChIKey |
NTHPAPBPFQJABD-LLVKDONJSA-N |
| SMILES |
C(C1C2=C(N(C)C=1)C=CC=C2)([C@H]1CC2NC=NC=2CC1)=O |
