6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

EC Number:

254-074-6

EC Name:

6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Cas Number:

38668-46-1

Molecular formula:

C9H13N7

IUPAC Name:

6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Results and discussion

Water solubility

Key result

Water solubility:

4.11 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 9.5 - <= 9.67

Any other information on results incl. tables

Preliminary test of Water solubility

In the preliminary test of water solubility n.1, at 25 °C of the test item, an approximate solubility of 10 to 1 g/L was reported. In the preliminary test of water solubility n.2, at 30 °C, “Approximate solubility 10 to 1 g/L” was obtained, too.

Specificity

The method proved to be specific; in fact it has been verified that solvent and matrix solutions do not interfere with the peaks of active ingredient.

Linearity

Method Linearity was tested on the active ingredient on 5 different concentration levels from 50% to 150% of the theoretical amount of active ingredient in the sample.

All acceptance criteria (R > 0.99 and/or the confidence interval at 95% for the intercept contains zero) were satisfied.

Water solubility tests

The aqueous solubility at 20 °C of the test item, with an initial nominal concentration of 5 g/L is reported below:

Water solubility test

Aqueous solubility 4.11 g/L

RSD% = 1.48%

The results from vessels 1, 2 and 3 did not shown a tendency of increasing values; for this reason the individual results from each of the three flasks, which did not differ by more than 15%, are averaged.

To verify the water solubility the test is repeated increasing the initial concentration of the sample, so as to be sure to work in saturation. The second test was performed at the initial nominal concentration of 16.7 g/L and the results are shown below:

Water solubility test

Aqueous solubility 4.28 g/L

RSD% = 3.43%

The results from vessels 1 and 2 shown a tendency of increasing values while rest constant from vessel 2 to vessel 5; For this reason the results of these three last flasks, which did not differ by more than 15%, are averaged. The whole test (with longer equilibration times, see values of vessels from 1 to 5) was reported too.

This second test confirmed that the water solubility value obtained in the first test was valid.

pH determinations

The pH determination at 20 °C of each test sample is reported below:

pH determination	S1	S2	S3	S4	S5
pH(20 °C) – water n.1	9.76	9.67	9.61	9.64	9.69
pH (20 °C) – water n.2	9.55	9.49	9.42	9.51	9.52

DEVIATIONS

A deviation was recorded during the study to trace the second water solubility test, performed as a confirmation of the result obtained with the first test.

Applicant's summary and conclusion

Conclusions:

The water solubility of the test item was performed according to “OECD 105 Adopted by the Council on 27th July 1995” by an HPLC-UV method.
Parameters verified during this analytical method, developed and verified according to SANCO/3029/99 rev.4, were: Specificity and Linearity.
The aqueous solubility at 20 °C of the test item proved to be 4.11 g/L.