N~1~-(2-chloro-4-nitrophenyl)butane-1,4-diamine--hydrogen chloride (1/1)
Chemical Structure Depiction of
N~1~-(2-chloro-4-nitrophenyl)butane-1,4-diamine--hydrogen chloride (1/1)
N~1~-(2-chloro-4-nitrophenyl)butane-1,4-diamine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 2023-0041 |
| Compound Name: | N~1~-(2-chloro-4-nitrophenyl)butane-1,4-diamine--hydrogen chloride (1/1) |
| Molecular Weight: | 280.15 |
| Molecular Formula: | C10 H14 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | C(CCNc1ccc(cc1[Cl])[N+]([O-])=O)CN |
| Stereo: | ACHIRAL |
| logP: | 1.6926 |
| logD: | -1.9719 |
| logSw: | -2.6012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.425 |
| InChI Key: | LCHVEXLDHGDWKD-UHFFFAOYSA-N |