HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Aminoisonicotinamide
NSC 522597 · 2-AMINO-ISONICOTIMIDE · Apremilast Impurity 118 · 2-AMINO-ISONICOTINAMIDE · 2-AMino-4-pyridinecarbaMide · 2-AMINOPYRIDINE-4-CARBOXAMIDE · 2-AMino-4-pyridinecarboxaMide · 4-Pyridinecarboxamide, 2-amino-
Identifiers & Physical Properties
| CAS No. | 13538-42-6 |
|---|---|
| Molecular formula | C6H7N3O |
| Average molar mass | 137.14 g/mol |
| Monoisotopic mass | 137.05891186 g/mol |
| SMILES | NC(=O)c1ccnc(N)c1 |
| InChIKey | AGSDASDGMNDAIE-UHFFFAOYSA-N |
| PubChem CID | 351653 |
| EC No. | 679-001-9 |
| DTXSID | DTXSID50326005 |
Chemical & Physical Properties
| XLogP | -0.6 |
|---|---|
| Topological polar surface area | 82 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 137 |
| Melting point | 258°C |
| Boiling point | 360.1±27.0 °C(Predicted) |
| Density | 1.323±0.06 g/cm3 (20 ºC 760 Torr) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 15.22±0.50(Predicted) |
| Color | White to Light yellow to Light orange |
| Solubility | Slightly soluble in water. |
| BRN | 115924 |
| InChI | 1S/C6H7N3O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,7,9)(H2,8,10) |
| InChIKey | AGSDASDGMNDAIE-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccnc(N)c1 |
| CAS DataBase Reference | 13538-42-6(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301 |
| GHS precautionary statements | P301+P310 |
| Hazard symbols | Xi,T |
| Risk statements (R) | 20/22-43-36-25 |
| Safety statements (S) | 22-36/37-45-26 |
| UN transport number | UN 2811 6.1 / PGIII |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Packing group | III |
| Customs code | 29333990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| UN transport number | UN 2811 6.1 / PGIII |
| Customs code | 29333990 |
| Risk statements (R) | 20/22-43-36-25 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | Xi,T |
| Safety statements (S) | 22-36/37-45-26 |
| Hazard class | IRRITANT |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H301 |
| GHS precautionary statements | P301+P310 |
Applications & Uses
Uses
2-Aminopyridine-4-carboxamide is used as pharmaceutical intermediate.
General Description
2-Aminopyridine-4-carboxamide is an amide compound that can be used as an organic synthetic intermediate for the preparation of imide-type catalytic additives and polyimide films.