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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010
Reliability:
1 (reliable without restriction)

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:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes (incl. QA statement)
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(aminomethyl)cyclohexaneacetic acid hydrochloride
EC Number:
262-075-8
EC Name:
1-(aminomethyl)cyclohexaneacetic acid hydrochloride
Cas Number:
60142-95-2
Molecular formula:
C9H17NO2.ClH
IUPAC Name:
2-[1-(aminomethyl)cyclohexyl]acetic acid hydrochloride
Details on test material:
Name of test material (as cited in study report): Gabapentin HCl
- Molecular formula (if other than submission substance): C9H17NO2.HCl
- Molecular weight (if other than submission substance): 207.7 g/mol
- Substance type: organic

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
-1.33
pH:
4
Remarks on result:
other: Temperature range from 20.6°C to 22.0°C
Type:
log Pow
Partition coefficient:
-1.17
pH:
7
Remarks on result:
other: Temperature range from 20.6°C to 22.0°C
Type:
log Pow
Partition coefficient:
-1.18
pH:
9
Remarks on result:
other: Temperature range from 20.6°C to 22.0°C

Applicant's summary and conclusion

Conclusions:
The log Pow of the test item was determined to be:
log Pow = - 1.33 at pH 4
log Pow = - 1.17 at pH 7
log Pow = - 1.18 at pH 9