3-ethoxy-N-[(4-nitrophenyl)methyl]propan-1-amine--oxalic acid (1/1)
Chemical Structure Depiction of
3-ethoxy-N-[(4-nitrophenyl)methyl]propan-1-amine--oxalic acid (1/1)
3-ethoxy-N-[(4-nitrophenyl)methyl]propan-1-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | K786-4630 |
| Compound Name: | 3-ethoxy-N-[(4-nitrophenyl)methyl]propan-1-amine--oxalic acid (1/1) |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C12 H18 N2 O3 |
| Salt: | HOOCCOOH |
| Smiles: | CCOCCCNCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6188 |
| logD: | -0.3133 |
| logSw: | -2.0407 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.476 |
| InChI Key: | VDAWPTHFWAAZNB-UHFFFAOYSA-N |