Molecule ID: mol5919
SMILES: CCCCCN(CCO)CC(O)CC
InChI: InChI=1S/C11H25NO2/c1-3-5-6-7-12(8-9-13)10-11(14)4-2/h11,13-14H,3-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |