| Melting point |
211-216oC |
| alpha |
D -147° (c = 0.36 in CH3OH) (Ayer); D24.5 -150.4° (c = 0.498 in MeOH) (Liu) |
| Boiling point |
505.0±50.0 °C(Predicted) |
| Density |
1.20±0.1 g/cm3(Predicted) |
| storage temp. |
Keep in dark place,Inert atmosphere,2-8°C |
| solubility |
insoluble in H2O; ≥12.12 mg/mL in DMSO; ≥23.13 mg/mL in EtOH |
| pka |
12.25±0.60(Predicted) |
| form |
Solid |
| color |
White to Almost white |
| optical activity |
[α]/D -153±5°, c = 0.5 in methanol |
| InChI |
InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1 |
| InChIKey |
ZRJBHWIHUMBLCN-YQEJDHNASA-N |
| SMILES |
C12C[C@@]3([H])/C(=C\C)/[C@@](N)(C=1C=CC(=O)N2)CC(C)=C3 |
| LogP |
0.833 (est) |
| CAS DataBase Reference |
102518-79-6(CAS DataBase Reference) |
