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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Internationally accepted method.

Data source

Materials and methods

Principles of method if other than guideline:
QSAR Application Toolbox: Multicase
Type of method:
other: estimated

Test material

Constituent 1
Chemical structure
Reference substance name:
11-piperazin-1-yldibenzo[b,f][1,4]thiazepine dihydrochloride
EC Number:
700-276-9
Cas Number:
111974-74-4
Molecular formula:
C17H19Cl2N3S
IUPAC Name:
11-piperazin-1-yldibenzo[b,f][1,4]thiazepine dihydrochloride

Results and discussion

Water solubility
Water solubility:
20.4 mg/L

Any other information on results incl. tables

Calculation. No data provided on temperature and pH to be included under "Results and discussions".

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Water solubility = 20.4 mg/l (QSAR Application Toolbox: Multicase)
Executive summary:

Water solubility = 20.4 mg/l (QSAR Application Toolbox: Multicase)