2-Phenylbutyramide
- Product Name2-Phenylbutyramide
- CAS90-26-6
- MFC10H13NO
- MW163.22
- EINECS201-980-4
- MOL File90-26-6.mol
Chemical Properties
| Melting point | 83-87 °C |
| Boiling point | 290.31°C (rough estimate) |
| Density | 1.0508 (rough estimate) |
| refractive index | 1.5718 (estimate) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 16.28±0.50(Predicted) |
| form | Crystalline Powder or Needles |
| color | White |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12) |
| InChIKey | UNFGQCCHVMMMRF-UHFFFAOYSA-N |
| SMILES | NC(=O)C(CC)c1ccccc1 |
| CAS DataBase Reference | 90-26-6(CAS DataBase Reference) |
Safety Information
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | WGK 3 |
| RTECS | ES4955000 |
| HS Code | 29242998 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | LD orl-rat: >500 mg/kg NCNSA6 5,9,1953 |
