Molecule ID: mol3197
SMILES: CC(O)CN(C)CCO
InChI: InChI=1S/C6H15NO2/c1-6(9)5-7(2)3-4-8/h6,8-9H,3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 1 » 0 |
| 8.10 | IUPAC digitized pKa | 1 » 0 |
| 8.15 | IUPAC digitized pKa | 1 » 0 |
| 8.69 | OCHEM | 1 » 0 |
| 8.69 | Datawarrior | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |