Molecule ID: mol3096
SMILES: CN(C)CCN
InChI: InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.98 | QSARToolbox | 2 » 1 |
| 6.60 | OCHEM | 2 » 1 |
| 6.63 | IUPAC digitized pKa | 2 » 1 |
| 6.63 | Datawarrior | 2 » 1 |
| 6.63 | AttenGpKa training set | 2 » 1 |
| 6.63 | QSARToolbox | 2 » 1 |
| 6.63 | QSARToolbox | 2 » 1 |
| 9.30 | QSARToolbox | 1 » 0 |
| 9.53 | OCHEM | 1 » 0 |
| 9.53 | QSARToolbox | 1 » 0 |
| 9.53 | QSARToolbox | 1 » 0 |
| 9.53 | IUPAC digitized pKa | 1 » 0 |
| 9.53 | Datawarrior | 1 » 0 |
| 9.53 | OCHEM | 1 » 0 |
| 9.53 | AttenGpKa training set | 1 » 0 |