427-00-9
| Name | desomorphine |
| CAS | 427-00-9 |
| EINECS(EC#) | 207-045-7 |
| Molecular Formula | C17H21NO2 |
| MDL Number | MFCD00864242 |
| Molecular Weight | 271.35 |
| MOL File | 427-00-9.mol |
Chemical Properties
| Melting point | 189° |
| alpha | D28 -77° (c = 1.6 in methanol) |
| Boiling point | 414.44°C (rough estimate) |
| density | 1.0288 (rough estimate) |
| refractive index | 1.5022 (estimate) |
| Fp | 2℃ |
| storage temp. | -20°C |
| solubility | DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 0.15 mg/ml |
| form | A crystalline solid |
| pka | 9.67±0.20(Predicted) |
| InChI | 1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1 |
| InChIKey | LNNWVNGFPYWNQE-GMIGKAJZSA-N |
| SMILES | OC1=C(O2)C([C@@]3([C@]2([H])CCC4)[C@]4([H])[C@H](N(C)CC3)C5)=C5C=C1 |
Safety Data
| Hazard Codes | F,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
| Hazardous Substances Data | 427-00-9(Hazardous Substances Data) |
| DEA Controlled Substances | CSCN: 9055 CSA SCH: Schedule I NARC: Yes |