1225-56-5
| Name | DESMETHYLDOXEPIN |
| CAS | 1225-56-5 |
| EINECS(EC#) | 200-659-6 |
| Molecular Formula | C18H19NO |
| MDL Number | MFCD00673268 |
| Molecular Weight | 265.35 |
| MOL File | 1225-56-5.mol |
Chemical Properties
| Melting point | 63-65℃ |
| Boiling point | 408.57°C (rough estimate) |
| density | 1.0629 (rough estimate) |
| refractive index | 1.5100 (estimate) |
| Fp | 9℃ |
| storage temp. | ?20°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | pKa 9.75(I=0.00 t=25.0) (Uncertain) |
| color | White |
| Water Solubility | 104.8mg/L(25 ºC) |
| Major Application | clinical testing |
| InChI | 1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10- |
| InChIKey | HVKCEFHNSNZIHO-YBEGLDIGSA-N |
| SMILES | CNCC/C=C1C2=C(C=CC=C2)COC3=C/1C=CC=C3 |
| EPA Substance Registry System | 1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl- (1225-56-5) |
Safety Data
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225-H301+H311+H331-H370 |
| Precautionary statements | P210-P260-P280-P301+P310-P311 |
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 2 |
| 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 |