49625-89-0
| Name | 6-BETA-NALTREXOL HCL |
| CAS | 49625-89-0 |
| Molecular Formula | C20H25NO4 |
| MDL Number | MFCD08063676 |
| Molecular Weight | 343.42 |
| MOL File | 49625-89-0.mol |
Chemical Properties
| Appearance | Light Yellow Solid |
| Melting point | 90-96?C |
| Boiling point | 557.5±50.0 °C(Predicted) |
| density | 1.48±0.1 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | Refrigerator |
| form | liquid |
| pka | 9.39±0.60(Predicted) |
| Major Application | forensics and toxicology |
| InChI | 1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1 |
| InChIKey | JLVNEHKORQFVQJ-PYIJOLGTSA-N |
| SMILES | OC1=C(O2)C([C@]([C@@H]2[C@H](O)CC3)(CCN4CC5CC5)[C@]3(O)[C@H]4C6)=C6C=C1 |
Safety Data
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |