Molecule ID: mol3201
SMILES: C=CCN(CC(C)O)CC(C)O
InChI: InChI=1S/C9H19NO2/c1-4-5-10(6-8(2)11)7-9(3)12/h4,8-9,11-12H,1,5-7H2,2-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | OCHEM | 1 » 0 |
| 8.20 | IUPAC digitized pKa | 1 » 0 |
| 8.20 | Datawarrior | 1 » 0 |
| 8.20 | OCHEM | 1 » 0 |