| Melting point |
148-152 °C(lit.) |
| Boiling point |
508.0±50.0 °C(Predicted) |
| Density |
1.125±0.06 g/cm3(Predicted) |
| storage temp. |
Store at -20°C |
| solubility |
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >6.0 mg/mL |
| pka |
13.88±0.20(Predicted) |
| form |
solid |
| color |
pale yellow |
| optical activity |
[α]25/D +16°, c = 1 in 1 M HCl |
| InChI |
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 |
| InChIKey |
METKIMKYRPQLGS-GFCCVEGCSA-N |
| SMILES |
C1(CC(N)=O)=CC=C(OC[C@H](O)CNC(C)C)C=C1 |