4-amino-2-methylpyrimidine-5-methylamine

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 April 2010 - 15 November 2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2010

Report date:

2010

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

4-amino-2-methylpyrimidine-5-methylamine

EC Number:

202-384-7

EC Name:

4-amino-2-methylpyrimidine-5-methylamine

Cas Number:

95-02-3

Molecular formula:

C6H10N4

IUPAC Name:

5-(aminomethyl)-2-methylpyrimidin-4-amine

Details on test material:

- Name of test material (as cited in study report):grewe-diamin
- Physical state: solid

Results and discussion

Water solubility

Water solubility 1

Water solubility:

392.4 g/L

Temp.:

10 °C

pH:

11.3 - 11.4

Remarks on result:

other: standard deviation: 11.3, replicates of three days

Water solubility 2

Water solubility:

427.3 g/L

Temp.:

20 °C

pH:

11.3 - 11.4

Remarks on result:

other: standard deviation: 15.8, replicates of three days

Details on results:

The temperature of the water bath was 10.0 °C respectively 20.0 °C.
The pH of the solutions were 11.3 to 11.4 at 10 °C and 20 °C.
The difference between the concentrations of the test substance of day 1 to 3 at 10 °C
and 20 °C was <15 % and the concentrations of the test substance showed no relevant tendency. Therefore the mean of day 1 - 3 was taken as the
solubility of the test substance at both temperatures, according to the guidelines.
The water solubility of "Grewe-diamin" was determined to:
Mean: 392.4 g/L, standard deviation: 11.3, replicates of three days, temperature 10.0 °C.
Mean: 427.3 g/L, standard deviation: 15.8, replicates of three days, temperature 20.0 °C.
As the temperature coefficient of the solubility of the test substance was <3 % (i.e. 0.9 %) per °C, the solubility was not determined at three
temperatures, in agreement with the guideline.

Any other information on results incl. tables

Table1: Water Solubility at 10 °C

Mass concentration of"Grewe-diamin"determined at different times of stirring, two solutions were used.

 

nominal temperature	equilibration time	pH of the solutions		concentration (mg/L)			deviation from the maximum concentration (%)
		1^st	2^nd	1^st	2^nd	mean
10 °C	1 day	11.3	11.4	399650	411409	405529	0.0
	2 days	11.3	11.4	386750	384561	385655	-4.9
	3 days	11.3	11.3	385852	386355	386104	-4.8
			mean (day 1-3)			392429
			SD			11347

 

Table2: Water Solubility at 20 °C

Mass concentration of"Grewe-diamin"determined at different times of stirring, two solutions were used.

 

nominal temperature	equilibration time	pH of the solutions		concentration (mg/L)			deviation from the maximum concentration (%)
		1^st	2^nd	1^st	2^nd	mean
20 °C	1 day	11.3	11.4	406682	413083	409882	-7.0
	2 days	11.3	11.3	442557	438762	440660	0.0
	3 days	11.4	11.3	431982	430437	431210	-2.1
			mean (day 1-3)			427251
			SD			15765

 

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The water solubility of "Grewe-diamin" was determined to:
Mean: 392.4 g/L, standard deviation: 11.3, replicates of three days, temperature 10.0 °C.
Mean: 427.3 g/L, standard deviation: 15.8, replicates of three days, temperature 20.0 °C.

As the temperature coefficient of the solubility of the test substance was <3 % (i.e. 1.8 %) per °C, the solubility was not determined at three
temperatures, in agreement with the guideline.

Executive summary:

The flask method was used.

The temperature of the water bath was 10.0 °C respectively 20.0 °C.

The pH of the solutions were 11.3 to 11.4 at 10 °C and 20 °C.

The difference between the concentrations of the test substance of day 1 to 3 at 10 °C
and 20 °C was <15 % and the concentrations of the test substance showed no relevant tendency. Therefore the mean of day 1 - 3 was taken as the solubility of the test substance at both temperatures, according to the guidelines.

The water solubility of"Grewe-diamin"was determined to:
Mean: 392.4 g/L, standard deviation: 11.3, replicates of three days, temperature 10.0 °C.
Mean: 427.3 g/L, standard deviation: 15.8, replicates of three days, temperature 20.0 °C.

As the temperature coefficient of the solubility of the test substance was <3 % (i.e. 0.9 %) per °C, the solubility was not determined at three temperatures, in agreement with the guideline.