Molecule ID: mol3105
SMILES: CC(C)NCCN
InChI: InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | IUPAC digitized pKa | 2 » 1 |
| 7.70 | Datawarrior | 2 » 1 |
| 7.70 | OCHEM | 2 » 1 |
| 7.70 | AttenGpKa training set | 2 » 1 |
| 8.30 | IUPAC digitized pKa | 2 » 1 |
| 10.62 | IUPAC digitized pKa | 1 » 0 |
| 10.62 | Datawarrior | 1 » 0 |
| 10.62 | OCHEM | 1 » 0 |
| 10.62 | OCHEM | 1 » 0 |
| 10.62 | AttenGpKa training set | 1 » 0 |
| 11.15 | IUPAC digitized pKa | 1 » 0 |