Desmethyldoxepin
- Product NameDesmethyldoxepin
- CAS1225-56-5
- MFC18H19NO
- MW265.35
- EINECS200-659-6
- MOL File1225-56-5.mol
Chemical Properties
| Melting point | 63-65℃ |
| Boiling point | 408.57°C (rough estimate) |
| Density | 1.0629 (rough estimate) |
| refractive index | 1.5100 (estimate) |
| Flash point | 9℃ |
| storage temp. | -20°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | pKa 9.75(I=0.00 t=25.0) (Uncertain) |
| form | Solid |
| 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 Information
| Hazard Codes | F,T |
| Risk Statements | 11-23/24/25-39/23/24/25 |
| Safety Statements | 7-16-36/37-45 |
| 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 |