Molecule ID: mol3183
SMILES: CC(N)CN
InChI: InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | IUPAC digitized pKa | 2 » 1 |
| 6.24 | IUPAC digitized pKa | 2 » 1 |
| 6.61 | IUPAC digitized pKa | 2 » 1 |
| 6.61 | IUPAC digitized pKa | 2 » 1 |
| 6.61 | IUPAC digitized pKa | 2 » 1 |
| 6.87 | AttenGpKa training set | 2 » 1 |
| 7.05 | IUPAC digitized pKa | 2 » 1 |
| 7.05 | IUPAC digitized pKa | 2 » 1 |
| 7.06 | IUPAC digitized pKa | 2 » 1 |
| 7.07 | IUPAC digitized pKa | 2 » 1 |
| 7.10 | IUPAC digitized pKa | 2 » 1 |
| 7.10 | OCHEM | 2 » 1 |
| 7.13 | IUPAC digitized pKa | 2 » 1 |
| 7.14 | Datawarrior | 2 » 1 |
| 7.81 | IUPAC digitized pKa | 2 » 1 |
| 9.08 | IUPAC digitized pKa | 2 » 1 |
| 9.44 | IUPAC digitized pKa | 1 » 0 |
| 9.72 | IUPAC digitized pKa | 1 » 0 |
| 9.82 | IUPAC digitized pKa | 1 » 0 |
| 9.82 | IUPAC digitized pKa | 1 » 0 |
| 9.83 | OCHEM | 1 » 0 |
| 9.83 | IUPAC digitized pKa | 1 » 0 |
| 9.83 | Datawarrior | 1 » 0 |
| 9.86 | AttenGpKa training set | 1 » 0 |
| 9.91 | IUPAC digitized pKa | 1 » 0 |
| 9.97 | IUPAC digitized pKa | 1 » 0 |
| 9.99 | OCHEM | 1 » 0 |
| 9.99 | OCHEM | 1 » 0 |
| 10.00 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | IUPAC digitized pKa | 1 » 0 |
| 10.30 | IUPAC digitized pKa | 1 » 0 |
| 10.76 | IUPAC digitized pKa | 1 » 0 |