| Melting point |
222-226℃ |
| Boiling point |
498.5±45.0 °C(Predicted) |
| Density |
1.17±0.1 g/cm3(Predicted) |
| vapor pressure |
0.001Pa at 25℃ |
| pka |
11.20±0.60(Predicted) |
| Water Solubility |
10mg/L at 25℃ |
| InChI |
InChI=1/C20H27NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h11,15-17,23H,3-10H2,1-2H3/t15-,16+,17+,18+,19+,20-/s3 |
| InChIKey |
JYCSLUASXDFIEL-GLPRFSKWNA-N |
| SMILES |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@](O)(C#N)CC3)CC2 |&1:4,8,10,12,14,18,r| |
| LogP |
2.43 at 25℃ |
