3,3,6-trimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
Chemical Structure Depiction of
3,3,6-trimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
3,3,6-trimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8013-5023 |
| Compound Name: | 3,3,6-trimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1) |
| Molecular Weight: | 383.18 |
| Molecular Formula: | C11 H18 N3 O4 |
| Salt: | I- |
| Smiles: | CC1=CCC2(CC1(C[N+](C)(C)C2)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6016 |
| logD: | 1.6016 |
| logSw: | -1.5882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.375 |
| InChI Key: | BCNRFSCGIPMNSG-UHFFFAOYSA-N |