Molecule ID: mol884
SMILES: CCN(CC)CCCN(CC)CC
InChI: InChI=1S/C11H26N2/c1-5-12(6-2)10-9-11-13(7-3)8-4/h5-11H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | IUPAC digitized pKa | 2 » 1 |
| 8.20 | Datawarrior | 2 » 1 |
| 8.20 | OCHEM | 2 » 1 |
| 8.20 | Hunt | 2 » 1 |
| 8.20 | AttenGpKa training set | 2 » 1 |
| 8.50 | OCHEM | 2 » 1 |
| 8.60 | IUPAC digitized pKa | 2 » 1 |
| 9.75 | IUPAC digitized pKa | 1 » 0 |
| 9.90 | OCHEM | 1 » 0 |
| 10.18 | IUPAC digitized pKa | 1 » 0 |
| 10.18 | Datawarrior | 1 » 0 |
| 10.18 | OCHEM | 1 » 0 |
| 10.18 | OCHEM | 1 » 0 |
| 10.18 | Hunt | 1 » 0 |