| Melting point |
182-185C |
| Boiling point |
507.9±50.0 °C(Predicted) |
| Density |
1.38±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
| pka |
pKa 7.63(H2O) (Uncertain) |
| form |
Solid |
| color |
White to Off-White |
| Henry's Law Constant |
5.5×1010 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI |
1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1 |
| InChIKey |
WJBLNOPPDWQMCH-MBPVOVBZSA-N |
| SMILES |
Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O)CC6CC6 |
| CAS DataBase Reference |
55096-26-9 |
| NIST Chemistry Reference |
Nalmefene(55096-26-9) |