Molecule ID: mol3214
SMILES: CCC(C)NC(C)CC
InChI: InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.91 | IUPAC digitized pKa | 1 » 0 |
| 10.91 | OCHEM | 1 » 0 |
| 10.94 | Datawarrior | 1 » 0 |
| 10.94 | OCHEM | 1 » 0 |
| 10.96 | AttenGpKa training set | 1 » 0 |
| 11.01 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 11.01 | OCHEM | 1 » 0 |