Molecule ID: mol5808
SMILES: CNNC1CCN(C(C)C)CC1
InChI: InChI=1S/C9H21N3/c1-8(2)12-6-4-9(5-7-12)11-10-3/h8-11H,4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | QSARToolbox | 2 » 1 |
| 6.20 | IUPAC digitized pKa | 2 » 1 |
| 6.20 | Datawarrior | 2 » 1 |
| 9.10 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | Datawarrior | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |