Molecule ID: mol197
SMILES: CCN(CC)CC
InChI: InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.09 | IUPAC digitized pKa | 1 » 0 |
| 10.21 | IUPAC digitized pKa | 1 » 0 |
| 10.33 | IUPAC digitized pKa | 1 » 0 |
| 10.45 | IUPAC digitized pKa | 1 » 0 |
| 10.55 | IUPAC digitized pKa | 1 » 0 |
| 10.59 | IUPAC digitized pKa | 1 » 0 |
| 10.60 | OCHEM | 1 » 0 |
| 10.67 | IUPAC digitized pKa | 1 » 0 |
| 10.71 | AttenGpKa training set | 1 » 0 |
| 10.72 | OCHEM | 1 » 0 |
| 10.72 | OCHEM | 1 » 0 |
| 10.75 | IUPAC digitized pKa | 1 » 0 |
| 10.75 | Baltruschat ChEMBL | 1 » 0 |
| 10.78 | IUPAC digitized pKa | 1 » 0 |
| 10.78 | IUPAC digitized pKa | 1 » 0 |
| 10.78 | Datawarrior | 1 » 0 |
| 10.78 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.78 | OCHEM | 1 » 0 |
| 10.78 | OCHEM | 1 » 0 |
| 10.78 | OCHEM | 1 » 0 |
| 10.80 | IUPAC digitized pKa | 1 » 0 |
| 10.82 | IUPAC digitized pKa | 1 » 0 |
| 10.85 | IUPAC digitized pKa | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | OCHEM | 1 » 0 |
| 10.90 | Hunt | 1 » 0 |
| 10.90 | Settimo | 1 » 0 |
| 10.99 | IUPAC digitized pKa | 1 » 0 |
| 11.01 | IUPAC digitized pKa | 1 » 0 |
| 11.11 | IUPAC digitized pKa | 1 » 0 |
| 11.39 | IUPAC digitized pKa | 1 » 0 |
| 11.43 | IUPAC digitized pKa | 1 » 0 |
| 11.48 | IUPAC digitized pKa | 1 » 0 |