3-Hydroxy-p-butyrophenetidine
- Product Name3-Hydroxy-p-butyrophenetidine
- CAS1083-57-4
- MFC12H17NO3
- MW223.27
- EINECS214-109-8
- MOL File1083-57-4.mol
Chemical Properties
| Melting point | 160 °C |
| Boiling point | 364.56°C (rough estimate) |
| Density | 1.1223 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| form | Solid |
| pka | 14.07±0.70(Predicted) |
| color | White to Off-White |
| Merck | 14,1458 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | 1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15) |
| InChIKey | LIAWQASKBFCRNR-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(NC(=O)CC(C)O)cc1 |
| CAS DataBase Reference | 1083-57-4 |
| EPA Substance Registry System | Butanamide, N-(4-ethoxyphenyl)-3-hydroxy- (1083-57-4) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 45-46-20/21/22 |
| Safety Statements | 53-22-36/37/39-45 |
| WGK Germany | 3 |
| RTECS | EU0900000 |
| TSCA | TSCA listed |
| HS Code | 2924.29.7790 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Carc. 1B |
| Toxicity | LD50 in mice (mg/kg): 790 i.p., 2800 orally (Fujimura) |
