| Boiling point |
530.8±50.0 °C(Predicted) |
| Density |
1.51±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C, protect from light |
| pka |
3.79±0.20(Predicted) |
| Appearance |
White to off-white Solid |
| optical activity |
234.792° (C=0.2 chloroform) |
| InChI |
InChI=1/C22H17N3O2/c23-11-16(21-24-19-14-7-3-1-5-12(14)9-17(19)26-21)22-25-20-15-8-4-2-6-13(15)10-18(20)27-22/h1-8,16-20H,9-10H2/t17-,18-,19+,20+/s3 |
| InChIKey |
PLCQFKBSQBOOOY-YPBRSVFVNA-N |
| SMILES |
C(C1O[C@]2([H])CC3=CC=CC=C3[C@]2([H])N=1)(C1O[C@]2([H])CC3=CC=CC=C3[C@]2([H])N=1)C#N |&1:3,12,17,26,r| |