2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol
Chemical Structure Depiction of
2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol
2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol
Compound characteristics
| Compound ID: | 8009-6068 |
| Compound Name: | 2-(1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl)butan-1-ol |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C12 H19 N3 O5 |
| Smiles: | CCC(CO)N1CC2(CC=CC(C2)(C1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9866 |
| logD: | 0.9818 |
| logSw: | -1.1522 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.446 |
| InChI Key: | FQRLCQWJNNNAFT-UHFFFAOYSA-N |