Molecule ID: mol3216
SMILES: NCCCCN
InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.78 | IUPAC digitized pKa | 2 » 1 |
| 8.83 | IUPAC digitized pKa | 2 » 1 |
| 9.04 | IUPAC digitized pKa | 2 » 1 |
| 9.20 | AttenGpKa training set | 2 » 1 |
| 9.35 | IUPAC digitized pKa | 2 » 1 |
| 9.36 | Datawarrior | 2 » 1 |
| 9.61 | IUPAC digitized pKa | 2 » 1 |
| 9.63 | IUPAC digitized pKa | 2 » 1 |
| 9.65 | OCHEM | 2 » 1 |
| 9.71 | IUPAC digitized pKa | 2 » 1 |
| 9.99 | OCHEM | 2 » 1 |
| 10.19 | IUPAC digitized pKa | 2 » 1 |
| 10.26 | IUPAC digitized pKa | 2 » 1 |
| 10.50 | IUPAC digitized pKa | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.63 | Datawarrior | 1 » 0 |
| 10.65 | AttenGpKa training set | 1 » 0 |
| 10.80 | IUPAC digitized pKa | 1 » 0 |
| 10.80 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.80 | IUPAC digitized pKa | 1 » 0 |
| 10.82 | IUPAC digitized pKa | 1 » 0 |
| 10.82 | OCHEM | 1 » 0 |
| 10.82 | OCHEM | 1 » 0 |
| 11.15 | IUPAC digitized pKa | 1 » 0 |