Registration Dossier
Registration Dossier
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EC number: 219-669-7 | CAS number: 2494-89-5
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:
- other: Validated model
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- Method: other (calculated): By EPIWIN
- GLP compliance:
- not specified
- Type of method:
- other: Calculatred by (Q)SAR
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate
- EC Number:
- 219-669-7
- EC Name:
- 2-[(p-aminophenyl)sulphonyl]ethyl hydrogensulphate
- Cas Number:
- 2494-89-5
- Molecular formula:
- C8H11NO6S2
- IUPAC Name:
- [2-(4-aminobenzenesulfonyl)ethoxy]sulfonic acid
- Details on test material:
- Canonical SMILES : Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -3.68
- Temp.:
- 25 °C
- Remarks on result:
- other: no pH value given in calculation
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
