N~1~-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~1~-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine--hydrogen chloride (1/1)
N~1~-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8011-1149 |
| Compound Name: | N~1~-[2-nitro-4-(trifluoromethyl)phenyl]hexane-1,6-diamine--hydrogen chloride (1/1) |
| Molecular Weight: | 341.76 |
| Molecular Formula: | C13 H18 F3 N3 O2 |
| Salt: | HCl |
| Smiles: | C(CCCNc1ccc(cc1[N+]([O-])=O)C(F)(F)F)CCN |
| Stereo: | ACHIRAL |
| logP: | 2.9722 |
| logD: | 0.3363 |
| logSw: | -3.4779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.124 |
| InChI Key: | VLLBQXQDULQKHE-UHFFFAOYSA-N |