6-methoxy-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
Chemical Structure Depiction of
6-methoxy-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
6-methoxy-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 8013-7402 |
| Compound Name: | 6-methoxy-3,3-dimethyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-ium--iodide (1/1) |
| Molecular Weight: | 399.18 |
| Molecular Formula: | C11 H18 N3 O5 |
| Salt: | I- |
| Smiles: | C[N+]1(C)CC2(CC=C(C(C2)(C1)[N+]([O-])=O)OC)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9165 |
| logD: | 0.9165 |
| logSw: | -0.9975 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.609 |
| InChI Key: | LFZIMCUIZYMAGS-UHFFFAOYSA-N |