Molecule ID: mol3589
SMILES: C1CCN(CCCN2CCCCC2)CC1
InChI: InChI=1S/C13H26N2/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | IUPAC digitized pKa | 2 » 1 |
| 7.97 | Datawarrior | 2 » 1 |
| 9.95 | IUPAC digitized pKa | 1 » 0 |
| 10.08 | Datawarrior | 1 » 0 |
| 10.08 | OCHEM | 1 » 0 |