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Administrative data

Endpoint:
partition coefficient
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 guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
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

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-2.27
Temp.:
20 °C
pH:
7
Details on results:
The recovery in both phases was 99.0 %.
The pH values of the aqueous phases were 7.0.
The temperature during the procedure was 20.0 °C.
The mean n-octanol / water partition coefficient (Pow) of the test substance is 0.0054 (standard deviation = 0.0001, n = 2), the mean decadic logarithm (log Pow) is -2.3.
According to the guideline the shake flask method is applicable when the log Pow value falls within the range of -2 to 4 and the HPLC method for the
range 0 to 6.
The experimentally determined partition coefficient is outside the range for which methods are published in the guidelines and therefore no further tests were performed.


Any other information on results incl. tables

See attachement

Applicant's summary and conclusion

Conclusions:
The mean decadic logarithm of the partition coefficient (log Pow) of "Grewe-diamin" is - 2.3 at pH 7.0.
Executive summary:

The partition coefficient was determined using the shake flask method at pH 7.0.

The recovery in both phases was 99.0 %. The pH values of the aqueous phases were 7.0. The temperature during the procedure was 20.0 °C.

The mean n-octanol / water partition coefficient (Pow) of the test substance is 0.0054
(standard deviation = 0.0001, n = 2), the mean decadic logarithm (log Pow) is-2.3.