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EC number: 202-384-7 | CAS number: 95-02-3
Partition coefficient
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:
- 2 010
- 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
- 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
Constituent 1
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.
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