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Physical & Chemical properties

Dissociation constant

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Description of key information

The pka value of Acetoguanamine was calculated to be 4.4 +/- 0.4 by the help of the QSAR program ACD/Labs. This is supported by a value for the dissociation constant stated in a publication and a collection of data which is in the same range. Therefore the result of the QSAR calculation can be considered as reliable.

Key value for chemical safety assessment

pKa at 20°C:
4.4

Additional information

The pka value of Acetoguanamine was calculated to be 4.4 +/- 0.4 by the help of the QSAR program ACD/Labs. Furthermore the dissociation constant of Acetoguanamine was stated to be Kb=4.0*10-10 in a publication ("Cyanuric Chloride Derivates. IX. Dissociation Constants of Substituted Melamines and Related Triazines") and in a collection of data ("Produktstudie Guanamine"). Therefore the pka value could be calculated to be 4.6, which is in the same range as the result of the QSAR calculation. Because of this the QSAR result pka= 4.4 +/- 0.4 can be considered as reliable.