Registration Dossier
Registration Dossier
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EC number: 210-431-8 | CAS number: 615-50-9
Dissociation constant
Administrative data
Link to relevant study record(s)
Description of key information
The pKa-values of 2 -methyl-p-phenylenediamine sulfate were predicted by a calculation method, using the PALLAS software, starting with the Hammett and Taft equations. The neutral (non-protonated) structure of the test item was used as the input for the PALLAS software.
The pKa-values were predicted to be: pKa(1) = 6.39; pKa(2) = 2.77
Key value for chemical safety assessment
- pKa at 20°C:
- 6.39
Additional information
The pKa-values of 2 -methyl-p-phenylenediamine sulfate were predicted by a calculation method, using the PALLAS software, starting with the Hammett and Taft equations. The neutral (non-protonated) structure of the test item was used as the input for the PALLAS software.
Two dissociation constants (pKa-values) were predicted, based on the protonation of the two amino groups on the test item.
The pKa-values were predicted to be:
pKa(1) 6.39
pKa(2) 2.77
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