Molecule ID: mol1686

SMILES: CC(C)CCN(CC[N+]1(C)CCCCC1)c1ccccc1

InChI: InChI=1S/C19H33N2/c1-18(2)12-13-20(19-10-6-4-7-11-19)14-17-21(3)15-8-5-9-16-21/h4,6-7,10-11,18H,5,8-9,12-17H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.06 IUPAC digitized pKa 2 » 1
3.06 Hunt 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization