HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Methylpiperidin-1-yl)-3-nitroaniline
Benzenamine, 4-(4-methyl-1-piperidinyl)-3-nitro-
Identifiers & Physical Properties
| CAS No. | 84979-31-7 |
|---|---|
| Molecular formula | C12H17N3O2 |
| Average molar mass | 235.28 g/mol |
| Monoisotopic mass | 235.13207679 g/mol |
| SMILES | CC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 |
| InChIKey | RYJMBZUFGDTYHS-UHFFFAOYSA-N |
| PubChem CID | 15580153 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 75.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 271 |