2-[(adamantan-1-yl)(methyl)amino]ethyl 4-nitrobenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[(adamantan-1-yl)(methyl)amino]ethyl 4-nitrobenzoate--hydrogen chloride (1/1)
2-[(adamantan-1-yl)(methyl)amino]ethyl 4-nitrobenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y508-1955 |
| Compound Name: | 2-[(adamantan-1-yl)(methyl)amino]ethyl 4-nitrobenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C20 H26 N2 O4 |
| Salt: | HCl |
| Smiles: | CN(CCOC(c1ccc(cc1)[N+]([O-])=O)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.0468 |
| logD: | 4.718 |
| logSw: | -4.6971 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.293 |
| InChI Key: | VLXCOZKEXXHKRC-UHFFFAOYSA-N |