1-(2,3-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]methanamine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(2,3-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]methanamine--oxalic acid (1/1)
1-(2,3-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]methanamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-6013 |
| Compound Name: | 1-(2,3-dimethoxyphenyl)-N-[(4-nitrophenyl)methyl]methanamine--oxalic acid (1/1) |
| Molecular Weight: | 392.36 |
| Molecular Formula: | C16 H18 N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | COc1cccc(CNCc2ccc(cc2)[N+]([O-])=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.891 |
| logD: | 0.2302 |
| logSw: | -3.345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.73 |
| InChI Key: | WIJWFALYXHXVTI-UHFFFAOYSA-N |