| Melting point |
158-162°C |
| Boiling point |
526.0±45.0 °C(Predicted) |
| Density |
1.28±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
DMSO: Soluble |
| pka |
14.73±0.20(Predicted) |
| form |
Solid |
| color |
White to off-white |
| Major Application |
forensics and toxicology
pharmaceutical (small molecule) |
| InChI |
InChI=1/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14+,15+ |
| InChIKey |
ATKWLNSCJYLXPF-FICVDOATNA-N |
| SMILES |
O[C@H]1C[C@H]2CC[C@H](N2C2=CC=C(C#N)C3C=CC=CC2=3)C1 |&1:1,3,6,r| |
