Molecule ID: mol5889
SMILES: CCCN(CCO)CC(C)O
InChI: InChI=1S/C8H19NO2/c1-3-4-9(5-6-10)7-8(2)11/h8,10-11H,3-7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | 1 » 0 |
| 8.40 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | 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 |