Molecule ID: mol5913
SMILES: CCCN(CCO)CC(O)CC
InChI: InChI=1S/C9H21NO2/c1-3-5-10(6-7-11)8-9(12)4-2/h9,11-12H,3-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | IUPAC digitized pKa | 1 » 0 |
| 8.50 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.00 | Datawarrior | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |