N~1~-(2-chloro-6-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~1~-(2-chloro-6-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
N~1~-(2-chloro-6-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8011-1108 |
| Compound Name: | N~1~-(2-chloro-6-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1) |
| Molecular Weight: | 266.12 |
| Molecular Formula: | C9 H12 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | C(CN)CNc1c(cccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.271 |
| logD: | -1.0106 |
| logSw: | -2.4574 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.426 |
| InChI Key: | XLGJONGCVYYHRJ-UHFFFAOYSA-N |