Molecule ID: mol5899
SMILES: CCC(O)CN(CCO)C(C)(C)C
InChI: InChI=1S/C10H23NO2/c1-5-9(13)8-11(6-7-12)10(2,3)4/h9,12-13H,5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.80 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | Datawarrior | 1 » 0 |