880-52-4
| Name | N-(1-Adamantyl)acetamide |
| CAS | 880-52-4 |
| EINECS(EC#) | 212-914-9 |
| Molecular Formula | C12H19NO |
| MDL Number | MFCD00074730 |
| Molecular Weight | 193.29 |
| MOL File | 880-52-4.mol |
Chemical Properties
| Appearance | white to light yellow crystal powde |
| Melting point | 148-149 °C(lit.) |
| Boiling point | 329.52°C (rough estimate) |
| density | 0.9854 (rough estimate) |
| refractive index | 1.4596 (estimate) |
| storage temp. | 0-6°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 16.16±0.20(Predicted) |
| color | White to yellow |
| Usage | A metabolite of Adamantamine |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14) |
| InChIKey | BCVXYGJCDZPKGV-UHFFFAOYSA-N |
| SMILES | C(NC12CC3CC(CC(C3)C1)C2)(=O)C |
| CAS DataBase Reference | 880-52-4(CAS DataBase Reference) |
| NIST Chemistry Reference | N-(1-adamantyl)acetamide(880-52-4) |
| EPA Substance Registry System | 880-52-4(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P261-P280-P301+P312+P330 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | AB4308000 |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29242998 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |