Molecule ID: mol2382
SMILES: CC(C)(C)CC(C)(C)N
InChI: InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.73 | IUPAC digitized pKa | 1 » 0 |
| 10.73 | OCHEM | 1 » 0 |
| 10.73 | Hunt | 1 » 0 |
| 10.79 | OCHEM | 1 » 0 |
| 10.84 | IUPAC digitized pKa | 1 » 0 |
| 10.84 | Datawarrior | 1 » 0 |
| 10.84 | OCHEM | 1 » 0 |
| 10.84 | AttenGpKa training set | 1 » 0 |