N~1~-(2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~1~-(2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
N~1~-(2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8019-7129 |
| Compound Name: | N~1~-(2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1) |
| Molecular Weight: | 231.68 |
| Molecular Formula: | C9 H13 N3 O2 |
| Salt: | HCl |
| Smiles: | C(CN)CNc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0217 |
| logD: | -1.2599 |
| logSw: | -1.9803 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.124 |
| InChI Key: | GVGDDEYVTBKACE-UHFFFAOYSA-N |