Molecule ID: mol3100
SMILES: NCCNCCNCC(N)CCN
InChI: InChI=1S/C8H23N5/c9-2-1-8(11)7-13-6-5-12-4-3-10/h8,12-13H,1-7,9-11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.65 | IUPAC digitized pKa | 5 » 4 |
| 3.17 | IUPAC digitized pKa | 5 » 4 |
| 4.25 | IUPAC digitized pKa | 5 » 4 |
| 4.94 | IUPAC digitized pKa | 5 » 4 |
| 7.87 | IUPAC digitized pKa | 4 » 3 |
| 8.22 | IUPAC digitized pKa | 3 » 2 |
| 9.08 | IUPAC digitized pKa | 3 » 2 |
| 9.51 | IUPAC digitized pKa | 2 » 1 |
| 9.90 | IUPAC digitized pKa | 2 » 1 |
| 9.92 | IUPAC digitized pKa | 2 » 1 |