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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
4-23 September 2009
Reliability:
1 (reliable without restriction)

Data source

Reference
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
EC Number:
700-455-1
Cas Number:
380843-75-4
Molecular formula:
C26H29Cl2N5O3
IUPAC Name:
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Details on test material:
Equipment
HPLC System : Agilent Series 1100
HPLC Column: Phenomenex Luna C18(2), 5um, 250x4.6mm

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
>= 3.3 - <= 4.3
pH:
ca. 9.5
Remarks on result:
other: by HPLC
Type:
log Pow
Partition coefficient:
ca. 4.3
Remarks on result:
other: by calculation using US EPA strucute-property software KOWWIN v.1.67

Applicant's summary and conclusion