Molecule ID: mol12875
SMILES: CCN(C)CCOCCN(C)C
InChI: InChI=1S/C9H22N2O/c1-5-11(4)7-9-12-8-6-10(2)3/h5-9H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.94 | QSARToolbox | 2 » 1 |
| 7.96 | Datawarrior | 2 » 1 |
| 9.32 | OCHEM | 1 » 0 |
| 9.62 | QSARToolbox | 1 » 0 |
| 9.65 | OCHEM | 1 » 0 |
| 9.65 | Datawarrior | 1 » 0 |