Registration Dossier
Registration Dossier
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EC number: 240-387-5 | CAS number: 16298-03-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 08 February 2013 - 26 April 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- (1995)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Methyl 3-aminopyrazinecarboxylate
- EC Number:
- 240-387-5
- EC Name:
- Methyl 3-aminopyrazinecarboxylate
- Cas Number:
- 16298-03-6
- Molecular formula:
- C6H7N3O2
- IUPAC Name:
- methyl 3-aminopyrazine-2-carboxylate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Name of test material (as cited in study report): Amiloride Compound 6
- Description: Tan powder
- Storage condition of test material: In refrigerator (2-8°C) protected from light, desiccated
- Other: Reactive to light, moisture and oxygen
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 1.5
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: n=6. Standard deviation: 0.043
- Type:
- log Pow
- Partition coefficient:
- 0.2
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- The log Pow values were within the criterion range of ± 0.3 log units (see table below). Based on this, the Pow and log Pow of the test substance are given as the mean value of all measurements.
Any other information on results incl. tables
Results Shake flask method at pH 7
Ratio n-octanol : water [v:v] |
Analysed concentration |
Pow |
log Pow
|
pH
|
||
n-octanol [g/l] |
Water [g/l] |
Individual |
Mean |
|||
1:1 |
0.573 |
0.385 |
1.5 |
1.5 |
0.2 |
7.0 |
0.565 |
0.398 |
1.4 |
0.2 |
7.0 |
||
1:2 |
0.617 |
0.409 |
1.5 |
1.5 |
0.2 |
7.0 |
0.634 |
0.404 |
1.6 |
0.2 |
7.0 |
||
2:1 |
0.528 |
0.347 |
1.5 |
1.5 |
0.2 |
7.0 |
0.498 |
0.340 |
1.5 |
0.2 |
7.0 |
||
No test substance was detected in the pretreated samples from the blank mixture.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of Amiloride Compound 6 at pH 7 and 20°C was determined to be 0.2 using the shake flask method (GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550).
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