N~1~-(4-chloro-2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~1~-(4-chloro-2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
N~1~-(4-chloro-2-nitrophenyl)propane-1,3-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8004-3583 |
| Compound Name: | N~1~-(4-chloro-2-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)CNc1ccc(cc1[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.6885 |
| logD: | -0.5931 |
| logSw: | -2.5922 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.124 |
| InChI Key: | CKKHCAGCBHZCEE-UHFFFAOYSA-N |