Registration Dossier
Registration Dossier
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EC number: 255-137-0 | CAS number: 40908-37-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 02.06.2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR (Calculated data, internationally accepted method.)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR-Method (calculated)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- other: QSAR (calculated)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
- EC Number:
- 255-137-0
- EC Name:
- N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
- Cas Number:
- 40908-37-0
- Molecular formula:
- C11H22N2O
- IUPAC Name:
- N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Constituent 1
Study design
- Analytical method:
- other: QSAR estimation used
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.878
Any other information on results incl. tables
KOWWIN Program (v1.68) Results:
===============================
SMILES : O=C(NC(CC(NC1(C)C)(C)C)C1)C
CHEM : Acetamide, N-(2,2,6,6-tetramethyl-4-piperidinyl)-
MOL FOR: C11 H22 N2 O1
MOL WT : 198.31
===============================
Applicant's summary and conclusion
- Conclusions:
- Partition Coefficient (n-Octanol/Water) by QSAR-method: 0.8783
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