Molecule ID: mol935
SMILES: CCCCCCN(C[C@@H](C)O)C[C@@H](C)O
InChI: InChI=1S/C12H27NO2/c1-4-5-6-7-8-13(9-11(2)14)10-12(3)15/h11-12,14-15H,4-10H2,1-3H3/t11-,12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | Hunt | 1 » 0 |