Molecule ID: mol179
SMILES: CCCCN
InChI: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.85 | IUPAC digitized pKa | 1 » 0 |
| 10.11 | IUPAC digitized pKa | 1 » 0 |
| 10.15 | IUPAC digitized pKa | 1 » 0 |
| 10.35 | IUPAC digitized pKa | 1 » 0 |
| 10.47 | IUPAC digitized pKa | 1 » 0 |
| 10.62 | AttenGpKa training set | 1 » 0 |
| 10.64 | OCHEM | 1 » 0 |
| 10.64 | OCHEM | 1 » 0 |
| 10.65 | IUPAC digitized pKa | 1 » 0 |
| 10.66 | IUPAC digitized pKa | 1 » 0 |
| 10.70 | Datawarrior | 1 » 0 |
| 10.70 | OCHEM | 1 » 0 |
| 10.70 | OCHEM | 1 » 0 |
| 10.70 | OCHEM | 1 » 0 |
| 10.70 | Hunt | 1 » 0 |
| 10.70 | Baltruschat ChEMBL | 1 » 0 |
| 10.70 | Settimo | 1 » 0 |
| 10.72 | IUPAC digitized pKa | 1 » 0 |
| 10.75 | OCHEM | 1 » 0 |
| 10.77 | IUPAC digitized pKa | 1 » 0 |
| 10.77 | IUPAC digitized pKa | 1 » 0 |
| 10.77 | Baltruschat ChEMBL | 1 » 0 |
| 10.78 | IUPAC digitized pKa | 1 » 0 |
| 10.78 | OCHEM | 1 » 0 |
| 10.78 | OCHEM | 1 » 0 |
| 10.78 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.81 | IUPAC digitized pKa | 1 » 0 |
| 11.00 | IUPAC digitized pKa | 1 » 0 |
| 11.18 | IUPAC digitized pKa | 1 » 0 |
| 11.57 | IUPAC digitized pKa | 1 » 0 |
| 11.59 | IUPAC digitized pKa | 1 » 0 |