Molecule ID: mol5914
SMILES: CCC(O)CN(C)CC(C)O
InChI: InChI=1S/C8H19NO2/c1-4-8(11)6-9(3)5-7(2)10/h7-8,10-11H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.50 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 8.90 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | Datawarrior | 1 » 0 |