Registration Dossier
Registration Dossier
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EC number: 243-020-7 | CAS number: 19395-41-6
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
- Justification for type of information:
- see Attached justification
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- EPI Suite Version 4.11
- Year:
- 2 012
- Bibliographic source:
- KOWIN v1.68 (2015)
Materials and methods
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI v.4.11 (KOWWIN v1.68), US EPA
- Model(s) used: KOWWIN v1.68 (Atom/Fragment Contribution (AFC) method)
- Model description: see field 'Attached justification' - GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- α-phenylpiperidine-2-acetic acid
- EC Number:
- 243-020-7
- EC Name:
- α-phenylpiperidine-2-acetic acid
- Cas Number:
- 19395-41-6
- Molecular formula:
- C13H17NO2
- IUPAC Name:
- α-phenylpiperidine-2-acetic acid
- Test material form:
- solid: granular
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -1.07
- Remarks on result:
- other: estimated value
Applicant's summary and conclusion
- Conclusions:
- The estimated Log Kow, partition coefficient octanol-water, of the substance is -1.07
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