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Physical & Chemical properties

Dissociation constant

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Description of key information

The pKa-values of (3-Ammonio-4-methoxyphenyl)(2-hydroxyethyl)ammonium sulphate were predicted to be 15.57 for R-CH2-0H (acidic), 5.41 for R-C6H4-NH3+ (basic), 3.20 for R(Ar)-NH-R (basic) and -4.04 for R-CH2-0H (basic)  determined by PALLAS v3.1.1.2 (COMPUDRUG CHEMISTRY LTD.) software.

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Additional information

The prediction of the pKa-value of (3 -Ammonio-4 -methoxyphenyl)(2 -hydroxyethyl) ammonium sulphate was performed with the PALLAS software (COMPUDRUG CHEMISTRY LTD).

The prediction was performed with the neutral (non protonated or deprotonated) form of the test substance structure.

For the test substance structure 4 pKa-values were predicted, one acidic and three basic, corresponding with the functional groups of the test substance.

The pKa-values of (3-Ammonio-4-methoxyphenyl)(2-hydroxyethyl)ammonium sulphate were predicted to be 15.57 for R-CH2-0H (acidic), 5.41 for R-C6H4-NH3+ (basic), 3.20 for R(Ar)-NH-R (basic) and -4.04 for R-CH2-0H (basic) determined by PALLAS v3.1.1.2 (COMPUDRUG CHEMISTRY LTD.) software.