Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012

Materials and methods

Test guideline
Qualifier:
no guideline followed
Guideline:
other: Calculation with Software
Principles of method if other than guideline:
Calculation with EpiSuite 4.1
GLP compliance:
no
Type of method:
other: Calculation with software
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
4-(6-methylbenzothiazol-2-yl)aniline
EC Number:
202-150-4
EC Name:
4-(6-methylbenzothiazol-2-yl)aniline
Cas Number:
92-36-4
Molecular formula:
C14H12N2S
IUPAC Name:
4-(6-methyl-1,3-benzothiazol-2-yl)aniline

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 3.56
Temp.:
25 °C
Remarks on result:
other: no datas on pH

Applicant's summary and conclusion