Registration Dossier
Registration Dossier
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EC number: 210-043-9 | CAS number: 603-48-5
Partition coefficient
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:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- KOWWIN v1.68
Prediction report is attached in IUCLID - GLP compliance:
- no
Test material
- Reference substance name:
- N,N,N',N',N'',N''-hexamethyl-4,4',4''-methylidynetrianiline
- EC Number:
- 210-043-9
- EC Name:
- N,N,N',N',N'',N''-hexamethyl-4,4',4''-methylidynetrianiline
- Cas Number:
- 603-48-5
- Molecular formula:
- C25H31N3
- IUPAC Name:
- 4-{bis[4-(dimethylamino)phenyl]methyl}-N,N-dimethylaniline
- Details on test material:
- - Purity: Not applicable
Smiles: CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
Constituent 1
- Specific details on test material used for the study:
- Smiles: CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.9
- Remarks on result:
- other: Temperature and pH not reported in QSAR.
Applicant's summary and conclusion
- Conclusions:
- log Pow: 5.9
- Executive summary:
KOWWIN model for partition coefficient was used to estimate the log Pow of the test substance. The log Pow was estimated to be 5.9. Additional supporting documentation is provided n the prediction report attached in IUCLID.
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