2-[(2-aminoethyl)amino]-5-nitrobenzonitrile
Chemical Structure Depiction of
2-[(2-aminoethyl)amino]-5-nitrobenzonitrile
2-[(2-aminoethyl)amino]-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | R052-1648 |
| Compound Name: | 2-[(2-aminoethyl)amino]-5-nitrobenzonitrile |
| Molecular Weight: | 206.2 |
| Molecular Formula: | C9 H10 N4 O2 |
| Smiles: | C(CNc1ccc(cc1C#N)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 0.7765 |
| logD: | -0.5153 |
| logSw: | -2.3462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.481 |
| InChI Key: | CBELAFIZCQHUKB-UHFFFAOYSA-N |