Registration Dossier
Registration Dossier
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EC number: 230-908-4 | CAS number: 7365-82-4
Water solubility
Administrative data
- Endpoint:
- water solubility
- 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:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
Data source
Reference
- Reference Type:
- other: Estimation software
- Title:
- Estimation Programs Interface Suite for Microsoft Windows, v4.11
- Author:
- US EPA
- Year:
- 2 012
- Bibliographic source:
- United States Environmental Protection Agency, Washington DC, USA; November 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using WSKOW v1.42.
- GLP compliance:
- no
- Type of method:
- other: QSAR prediction using WSKOW v1.42.
Test material
- Reference substance name:
- N-(carbamoylmethyl)taurine
- EC Number:
- 230-908-4
- EC Name:
- N-(carbamoylmethyl)taurine
- Cas Number:
- 7365-82-4
- Molecular formula:
- C4H10N2O4S
- IUPAC Name:
- N-(carbamoylmethyl)taurine
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- Smiles: O=C(N)CNCCS(=O)(=O)O
Results and discussion
Water solubility
- Key result
- Water solubility:
- ca. 1 000 000 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not available in QSAR prediction.
- Details on results:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
Applicant's summary and conclusion
- Conclusions:
- The estimated water solubility using WSKOW v1.42 = 1e+006 mg/L for N-(carbamoylmethyl)taurine.
- Executive summary:
The estimated water solubility using WSKOW v1.42 = 1e+006 mg/L for N-(carbamoylmethyl)taurine.
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