Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Calculated result with KOWWIN Program (v1.67) by using EPIWIN Suie 4.0 software package of US EPA.The Estimation Programs Interface (EPI) SuiteTM was developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC). Copyright 2000-2008 United States Environmental Protection Agency for EPI SuiteTM and all component programs. Freely available on EPA´s web page.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR-method
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: QSAR-method
Deviations:
yes
Remarks:
QSAR-method
Principles of method if other than guideline:
calculated result with KOWWIN Program (v1.67)
GLP compliance:
no
Type of method:
other: QSAR-method

Test material

Constituent 1
Chemical structure
Reference substance name:
methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
EC Number:
639-469-7
Cas Number:
14907-27-8
Molecular formula:
C12H15ClN2O2
IUPAC Name:
methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.089

Any other information on results incl. tables

calculated result with KOWWIN Program (v1.67)

Applicant's summary and conclusion

Conclusions:
Result of partition coefficient shows log Kow 1.0893 (calculated result with KOWWIN Program (v1.67)). From the result there is no influence to the environment expected.