Registration Dossier
Registration Dossier
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EC number: 618-311-0 | CAS number: 898543-06-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Jan 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.1
- Temp.:
- 25 °C
- pH:
- 10.9
- Remarks on result:
- other: measured, mean value from 3 single values
- Type:
- log Pow
- Partition coefficient:
- -0.13
- Remarks on result:
- other: calculated with KOWWIN v1.66
- Conclusions:
- The log Pow of 3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride was determined with -0.1 at 25°C and pH 10.9.
- Executive summary:
The n-octanol/water partition coefficient (logPow: -0.1) of the test substance was determined at 25°C and pH 10.9 according to EU testing method A.8.
Reference
No reference substance with a log Pow-value below the value for the test substance was available. For this reason the result was extrapolated. The linear regression of the log Pow-values of the reference substances against the log of the capacity factors of the reference substances were shown in a graph. With extrapolation of the received correlation graph and the capacity factor of the test item the log Pow of the test item can be determined. With a correlation coefficient of 0.99561 the linear regression analysis is satisfying. As the test item elutes after the dead time marker thiourea and close to the first reference substancc 4 -acetylpyridine and the perfonned extrapolation shows a satisfying correlation coefficient, the determined log Pow is considered as valide, although the detemined value does not exactly meet the range of application of the test guideline.
Description of key information
The log Pow of 3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, hydrochloride was determined with -0.1 at 25 °C and pH 10.9.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.1
- at the temperature of:
- 25 °C
Additional information
The test item is an amino hydrochloride, the non ionic form is the free amine, which is a base (pKa for protonation of the amino function = 8.96 (calculated, source: ACD/pKa v 7.0)). For the determination of the log Pow of free bases the pH has to be at least one unit above tbe pKa of the free base. Therefore pH 11 was chosen as the buffer medium.
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