Molecule ID: mol3493
SMILES: CC(O)CN(Cc1ccccc1)CC(C)O
InChI: InChI=1S/C13H21NO2/c1-11(15)8-14(9-12(2)16)10-13-6-4-3-5-7-13/h3-7,11-12,15-16H,8-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | IUPAC digitized pKa | 1 » 0 |
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | IUPAC digitized pKa | 1 » 0 |
| 7.50 | Datawarrior | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | OCHEM | 1 » 0 |