| Melting point |
183-185°C |
| Boiling point |
508.7±50.0 °C(Predicted) |
| Density |
1.15±0.1 g/cm3(Predicted) |
| storage temp. |
Keep in dark place,Sealed in dry,2-8°C |
| solubility |
≥14.2 mg/mL in DMSO; ≥46.1 mg/mL in H2O with gentle warming; ≥97 mg/mL in EtOH with gentle warming |
| form |
Solid |
| pka |
4.13±0.60(Predicted) |
| color |
White to off-white |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1 |
| InChIKey |
NENPYTRHICXVCS-YNEHKIRRSA-N |
| SMILES |
C1(C(O)=O)C[C@H](N)[C@@H](NC(C)=O)[C@H](OC(CC)CC)C=1 |
| EPA Substance Registry System |
1-Cyclohexene-1-carboxylic acid, 4-(acetylamino)-5-amino-3-(1-ethylpropoxy)-, (3R,4R,5S)- (187227-45-8) |
