2-{[4-(diethylamino)phenyl]diazenyl}-1,3-dimethyl-1H-benzimidazol-3-ium--methyl sulfate (1/1)
Chemical Structure Depiction of
2-{[4-(diethylamino)phenyl]diazenyl}-1,3-dimethyl-1H-benzimidazol-3-ium--methyl sulfate (1/1)
2-{[4-(diethylamino)phenyl]diazenyl}-1,3-dimethyl-1H-benzimidazol-3-ium--methyl sulfate (1/1)
Compound characteristics
| Compound ID: | 0839-0231 |
| Compound Name: | 2-{[4-(diethylamino)phenyl]diazenyl}-1,3-dimethyl-1H-benzimidazol-3-ium--methyl sulfate (1/1) |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C19 H24 N5 |
| Salt: | CH3SO4- |
| Smiles: | CCN(CC)c1ccc(cc1)/N=N/c1n(C)c2ccccc2[n+]1C |
| Stereo: | ACHIRAL |
| logP: | 4.824 |
| logD: | 4.8236 |
| logSw: | -4.5592 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 30.8975 |
| InChI Key: | KTCXZODUMRTKJM-UHFFFAOYSA-N |