Molecule ID: mol862
SMILES: CN(C)CCN(C)C
InChI: InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | IUPAC digitized pKa | 2 » 1 |
| 5.70 | QSARToolbox | 2 » 1 |
| 5.70 | IUPAC digitized pKa | 2 » 1 |
| 5.70 | OCHEM | 2 » 1 |
| 5.70 | Hunt | 2 » 1 |
| 5.85 | QSARToolbox | 2 » 1 |
| 5.85 | IUPAC digitized pKa | 2 » 1 |
| 5.90 | IUPAC digitized pKa | 2 » 1 |
| 6.00 | OCHEM | 2 » 1 |
| 6.04 | Datawarrior | 2 » 1 |
| 6.15 | QSARToolbox | 2 » 1 |
| 8.80 | OCHEM | 1 » 0 |
| 8.97 | IUPAC digitized pKa | 1 » 0 |
| 8.97 | QSARToolbox | 1 » 0 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 9.10 | QSARToolbox | 1 » 0 |
| 9.14 | IUPAC digitized pKa | 1 » 0 |
| 9.15 | OCHEM | 1 » 0 |
| 9.15 | QSARToolbox | 1 » 0 |
| 9.15 | IUPAC digitized pKa | 1 » 0 |
| 9.15 | Datawarrior | 1 » 0 |
| 9.15 | AttenGpKa training set | 1 » 0 |
| 9.35 | QSARToolbox | 1 » 0 |