2-(dimethylamino)ethyl 3-nitrobenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(dimethylamino)ethyl 3-nitrobenzoate--hydrogen chloride (1/1)
2-(dimethylamino)ethyl 3-nitrobenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8013-6121 |
| Compound Name: | 2-(dimethylamino)ethyl 3-nitrobenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 274.7 |
| Molecular Formula: | C11 H14 N2 O4 |
| Salt: | HCl |
| Smiles: | CN(C)CCOC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9112 |
| logD: | 1.2048 |
| logSw: | -2.191 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.533 |
| InChI Key: | VQDYTUAKUJNACF-UHFFFAOYSA-N |