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Dissociation constant

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Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
until 2002-08-21
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline available
Principles of method if other than guideline:
estimation of the dissociation constants (pKa-values)
GLP compliance:
not specified
Dissociating properties:
ambiguous
No.:
#1
pKa:
7
Remarks on result:
other: Primary Amine, Taft
Remarks:
Test item can be protonated at the primary amino group in aqueous solutions.
Conclusions:
1,3-Dimethyl-4-aminouracil can be protonated at the primary amino group in aqueous solutions (pKa = 7)
Executive summary:

1,3-Dimethyl-4-aminouracil can be protonated at the primary amino group in aqueous solutions (pKa = 7)

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
scientifically acceptable, well documented guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
yes (incl. QA statement)
Dissociating properties:
no

The test item in aqueous solution could neither be protonated with 0.1 mol/l hydrochloric acid nor deprotonated with 0.1 mol/l

sodium hydroxide solution.

The determination of the dissociation constant of the test item was not possible.

Description of key information

Dissociation constant

- 1,3-Dimethyl-4-aminouracil can be protonated at the primary amino group in aqueous solutions (pKa = 7) (calculation)

- The determination of the dissociation constant of the test item was not possible. The substance does not contain any ionic structure. (OECD 112, GLP)

Key value for chemical safety assessment

pKa at 20°C:
7

Additional information