| Melting point |
210-2140C |
| alpha |
D25 -290° (c = 0.5 in pyridine) |
| Boiling point |
451.46°C (rough estimate) |
| Density |
1.0899 (rough estimate) |
| refractive index |
1.5614 (estimate) |
| storage temp. |
2-8°C |
| solubility |
Chloroform (Slightly), Pyridine (Slightly) |
| pka |
13+-.0.40(Predicted) |
| form |
powder |
| color |
white to beige |
| optical activity |
[α]/D -305 to -325°, c = 1 in dichloromethane |
| Merck |
14,3106 |
| InChI |
InChI=1/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/s3 |
| InChIKey |
AZFLJNIPTRTECV-XAYGXGNENA-N |
| SMILES |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC#N |&1:1,14,16,20,r| |
| CAS DataBase Reference |
65928-58-7(CAS DataBase Reference) |
