Melting point |
166.5 °C |
Boiling point |
514.13°C (rough estimate) |
Density |
1.2692 (rough estimate) |
refractive index |
1.6300 (estimate) |
storage temp. |
2-8°C |
solubility |
Dichloromethane (Sparingly), DMSO (Slightly), Methanol (Slightly, Sonicated) |
pka |
3.32±0.10(Predicted) |
form |
Solid |
color |
White to Off-White |
BRN |
9223259 |
InChI |
InChI=1/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/s3 |
InChIKey |
JQLPMTXRCLXOJO-OAQYLSRUSA-N |
SMILES |
C1(COC(=O)N[C@@H](C(=O)O)CC2C=NC=CC=2)C2C=CC=CC=2C2C=CC=CC1=2 |&1:6,r| |
CAS DataBase Reference |
142994-45-4(CAS DataBase Reference) |