Molecule ID: mol876
SMILES: CC(N)(CO)CO
InChI: InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.22 | QSARToolbox | 1 » 0 |
| 5.24 | QSARToolbox | 1 » 0 |
| 5.33 | QSARToolbox | 1 » 0 |
| 7.89 | IUPAC digitized pKa | 1 » 0 |
| 7.99 | IUPAC digitized pKa | 1 » 0 |
| 8.13 | IUPAC digitized pKa | 1 » 0 |
| 8.13 | IUPAC digitized pKa | 1 » 0 |
| 8.24 | IUPAC digitized pKa | 1 » 0 |
| 8.26 | IUPAC digitized pKa | 1 » 0 |
| 8.38 | IUPAC digitized pKa | 1 » 0 |
| 8.39 | IUPAC digitized pKa | 1 » 0 |
| 8.50 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.62 | QSARToolbox | 1 » 0 |
| 8.65 | IUPAC digitized pKa | 1 » 0 |
| 8.66 | IUPAC digitized pKa | 1 » 0 |
| 8.68 | QSARToolbox | 1 » 0 |
| 8.76 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.79 | IUPAC digitized pKa | 1 » 0 |
| 8.79 | IUPAC digitized pKa | 1 » 0 |
| 8.79 | AttenGpKa training set | 1 » 0 |
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |
| 8.80 | Hunt | 1 » 0 |
| 8.80 | IUPAC digitized pKa | 1 » 0 |
| 8.81 | QSARToolbox | 1 » 0 |
| 8.93 | QSARToolbox | 1 » 0 |
| 8.94 | IUPAC digitized pKa | 1 » 0 |
| 8.95 | IUPAC digitized pKa | 1 » 0 |
| 9.09 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.26 | IUPAC digitized pKa | 1 » 0 |
| 9.27 | IUPAC digitized pKa | 1 » 0 |
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.43 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.61 | IUPAC digitized pKa | 1 » 0 |