Molecule ID: mol1680
SMILES: CCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1
InChI: InChI=1S/C21H37N2/c1-3-4-5-6-11-16-22(21-14-9-7-10-15-21)17-20-23(2)18-12-8-13-19-23/h7,9-10,14-15H,3-6,8,11-13,16-20H2,1-2H3/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | IUPAC digitized pKa | 2 » 1 |
| 3.21 | Hunt | 2 » 1 |