Molecule ID: mol3141
SMILES: CN(C)CCOCCN(C)C
InChI: InChI=1S/C8H20N2O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.19 | QSARToolbox | 2 » 1 |
| 8.19 | IUPAC digitized pKa | 2 » 1 |
| 8.21 | Datawarrior | 2 » 1 |
| 8.49 | OCHEM | 2 » 1 |
| 9.47 | OCHEM | 1 » 0 |
| 9.77 | IUPAC digitized pKa | 1 » 0 |
| 9.77 | QSARToolbox | 1 » 0 |
| 9.80 | Datawarrior | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |