Registration Dossier
Registration Dossier
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EC number: 252-279-5 | CAS number: 34907-26-1
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- (Q)SAR analysis, no study period available
- 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:
- (Q)SAR analysis was undertaken utilisng BIOWIN v4.10 and START biodegradability in Toxtree. Both methods provided similar predictions. The molecule is within the applicability domain and therefore the results are considered to be valid. See attached document for full details.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- (Q)SAR analysis using Toxtree
- GLP compliance:
- no
Test material
- Reference substance name:
- N,N,N-trimethyl-3-nitroanilinium chloride
- EC Number:
- 252-279-5
- EC Name:
- N,N,N-trimethyl-3-nitroanilinium chloride
- Cas Number:
- 34907-26-1
- Molecular formula:
- C9H13N2O2.Cl
- IUPAC Name:
- N,N,N-trimethyl-3-nitroanilinium chloride
- Test material form:
- other: In silico, relevant form and other descriptive physical parametes described in individual calculations
- Details on test material:
- In Silico test material for calculations. SMILES code = N(=O)(=O)(C1CC(N(CL)(C)(C)C)ccc1)
Constituent 1
- Specific details on test material used for the study:
- (Q)SAR analysis using Toxtree, in silico, no details required.
Results and discussion
% Degradation
- Key result
- Parameter:
- probability of ready biodegradability (QSAR/QSPR)
- Value:
- 0.005
- Remarks on result:
- not readily biodegradable based on QSAR/QSPR prediction
- Remarks:
- MITI probability of biodegradation is 0.0048. N,N,N-trimethyl-nitroanilinium chloride is a Class 2 persistent chemical from Toxtree analysis.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- MITI probability of biodegradation 0.0048, predicted not to be readily biodegradable. N,N,N-trimethyl-nitroanilinium chloride is predicted to be a Class 2 persistent chemical by Toxtree analysis.
- Executive summary:
MITI probability of biodegradation 0.0048, predicted not to be readily biodegradable. N,N,N-trimethyl-nitroanilinium chloride is predicted to be a Class 2 persistent chemical by Toxtree analysis.
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