Molecule ID: mol3217
SMILES: CC(N)C(C)N
InChI: InChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.91 | IUPAC digitized pKa | 2 » 1 |
| 6.91 | AttenGpKa training set | 2 » 1 |
| 6.92 | IUPAC digitized pKa | 2 » 1 |
| 6.92 | OCHEM | 2 » 1 |
| 7.55 | IUPAC digitized pKa | 2 » 1 |
| 7.60 | IUPAC digitized pKa | 2 » 1 |
| 9.88 | OCHEM | 2 » 1 |
| 9.97 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | OCHEM | 2 » 1 |
| 10.00 | AttenGpKa training set | 2 » 1 |
| 10.63 | IUPAC digitized pKa | 1 » 0 |
| 10.69 | IUPAC digitized pKa | 1 » 0 |