HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Butyl-N-nitro-1-butanamine
N-nitrodibutylamine · N-Butyl-N-nitro-1-butanamine
Identifiers & Physical Properties
| CAS No. | 4164-31-2 |
|---|---|
| Molecular formula | C8H18N2O2 |
| Average molar mass | 174.24 g/mol |
| Monoisotopic mass | 174.13682782 g/mol |
| SMILES | CCCCN(CCCC)[N+](=O)[O-] |
| InChIKey | IBFAEPSQNZNTBK-UHFFFAOYSA-N |
| PubChem CID | 20121 |
| DTXSID | DTXSID20194455 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 49.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 115 |