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Dissociation constant

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Description of key information

The dissociation constant of the amine group is 10.47 at 0.01 M and 25 °C according to a GLP study. We can consider that this value is approximately the same at 20 °C.

Key value for chemical safety assessment

pKa at 20°C:

Additional information

We determined experimentally the pKa of the amine group in the molecule; the other ionizable group in this molecule is the alcohol group but we did not try to determine its dissociation constant experimentally since it was considered to be outside of the environmentally relevant pH range (and also outside the practical experimental range). Therefore, the dissociation constant of this group was calculated using specialist estimation software; using I-Lab 2.0, ACD/Labs, the dissociation constant of the alcohol group was estimated to be 15.86 +/- 0.10.