Molecule ID: mol5860
SMILES: C[N+](C)(C)CCN
InChI: InChI=1S/C5H15N2/c1-7(2,3)5-4-6/h4-6H2,1-3H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.68 | IUPAC digitized pKa | 2 » 1 |
| 7.03 | AttenGpKa training set | 2 » 1 |
| 7.10 | IUPAC digitized pKa | 2 » 1 |
| 7.34 | Datawarrior | 2 » 1 |
| 7.34 | OCHEM | 2 » 1 |
| 7.68 | IUPAC digitized pKa | 2 » 1 |