Molecule ID: mol3188
SMILES: CC(C)(N)CN
InChI: InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.18 | IUPAC digitized pKa | 2 » 1 |
| 6.25 | IUPAC digitized pKa | 2 » 1 |
| 6.49 | AttenGpKa training set | 2 » 1 |
| 6.79 | IUPAC digitized pKa | 2 » 1 |
| 6.79 | Datawarrior | 2 » 1 |
| 6.79 | OCHEM | 2 » 1 |
| 7.41 | IUPAC digitized pKa | 2 » 1 |
| 9.42 | IUPAC digitized pKa | 2 » 1 |
| 9.71 | AttenGpKa training set | 1 » 0 |
| 9.82 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | Datawarrior | 1 » 0 |
| 10.00 | OCHEM | 1 » 0 |
| 10.00 | OCHEM | 1 » 0 |
| 10.74 | IUPAC digitized pKa | 1 » 0 |