Molecule ID: mol2045
SMILES: CC(C)CNCC(C)C
InChI: InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.59 | Datawarrior | 1 » 0 |
| 10.59 | OCHEM | 1 » 0 |
| 10.66 | AttenGpKa training set | 1 » 0 |
| 10.71 | OCHEM | 1 » 0 |
| 10.91 | IUPAC digitized pKa | 1 » 0 |
| 10.91 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.91 | OCHEM | 1 » 0 |
| 10.91 | Hunt | 1 » 0 |