Molecule ID: mol900
SMILES: CC(C)NC(C)C
InChI: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.96 | IUPAC digitized pKa | 1 » 0 |
| 10.96 | OCHEM | 1 » 0 |
| 10.96 | Hunt | 1 » 0 |
| 11.04 | Datawarrior | 1 » 0 |
| 11.04 | OCHEM | 1 » 0 |
| 11.05 | OCHEM | 1 » 0 |
| 11.07 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.07 | OCHEM | 1 » 0 |
| 11.13 | IUPAC digitized pKa | 1 » 0 |
| 11.20 | IUPAC digitized pKa | 1 » 0 |
| 11.20 | AttenGpKa training set | 1 » 0 |
| 11.98 | IUPAC digitized pKa | 1 » 0 |