Molecule ID: mol3184
SMILES: NCCCN
InChI: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.02 | IUPAC digitized pKa | 2 » 1 |
| 8.21 | IUPAC digitized pKa | 2 » 1 |
| 8.29 | IUPAC digitized pKa | 2 » 1 |
| 8.33 | IUPAC digitized pKa | 2 » 1 |
| 8.48 | IUPAC digitized pKa | 2 » 1 |
| 8.50 | AttenGpKa training set | 2 » 1 |
| 8.60 | OCHEM | 2 » 1 |
| 8.64 | IUPAC digitized pKa | 2 » 1 |
| 8.77 | Datawarrior | 2 » 1 |
| 8.80 | IUPAC digitized pKa | 2 » 1 |
| 8.88 | IUPAC digitized pKa | 2 » 1 |
| 8.88 | IUPAC digitized pKa | 2 » 1 |
| 8.94 | IUPAC digitized pKa | 2 » 1 |
| 8.98 | IUPAC digitized pKa | 2 » 1 |
| 9.03 | IUPAC digitized pKa | 2 » 1 |
| 9.69 | IUPAC digitized pKa | 2 » 1 |
| 9.80 | IUPAC digitized pKa | 2 » 1 |
| 9.95 | IUPAC digitized pKa | 2 » 1 |
| 9.99 | IUPAC digitized pKa | 2 » 1 |
| 10.17 | OCHEM | 2 » 1 |
| 10.30 | IUPAC digitized pKa | 1 » 0 |
| 10.32 | IUPAC digitized pKa | 1 » 0 |
| 10.44 | AttenGpKa training set | 1 » 0 |
| 10.51 | IUPAC digitized pKa | 1 » 0 |
| 10.55 | IUPAC digitized pKa | 1 » 0 |
| 10.55 | Datawarrior | 1 » 0 |
| 10.55 | OCHEM | 1 » 0 |
| 10.58 | IUPAC digitized pKa | 1 » 0 |
| 10.62 | IUPAC digitized pKa | 1 » 0 |
| 10.62 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.64 | IUPAC digitized pKa | 1 » 0 |
| 10.72 | IUPAC digitized pKa | 1 » 0 |
| 10.94 | IUPAC digitized pKa | 1 » 0 |
| 11.50 | IUPAC digitized pKa | 1 » 0 |