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EC number: 227-645-2 | CAS number: 5921-65-3
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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:
- 1. SOFTWARE
ECOSAR
2. MODEL (incl. version number)
ECOSAR 1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : c1(CCCCCCCCC)nc(N)nc(N)n1
CHEM : Caprinoguanamin
CAS Num: 5921-65-3
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Refer to attached document
5. APPLICABILITY DOMAIN
Refer to attached document
6. ADEQUACY OF THE RESULT
The class of aromatic triazines is considered the most relevant for assessment of Caprinoguanamine.
Selection of the appropriate QSAR within ECOSAR is based on a variety of information depending on the chemical class. This includes factors like the chemical structure, chemical class, log Kow, molecular weight, physical state, water solubility, number of carbons or ethoxylates (or both), and percent amine nitrogen or number of cationic charges (or both) per 1000 molecular weight. The most important factor for selecting an appropriate QSAR is the chemical class, since the QSARs in ECOSAR are class-specific. - Guideline:
- other: REACH Guidance on QSARs R6
- Specific details on test material used for the study:
- SMiles: c1(CCCCCCCCC)nc(N)nc(N)n1
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.031 mg/L
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Remarks:
- calculation fall within the boundary of the model
- Conclusions:
- ECOSAR predicted an EC50 of 0.031 mg/L in green algae for the class of aromatic triazines. This class is considered the most relevant for assessment of Caprinoguanamine.
Selection of the appropriate QSAR within ECOSAR is based on a variety of information depending on the chemical class. This includes factors like the chemical structure, chemical class, log Kow, molecular weight, physical state, water solubility, number of carbons or ethoxylates (or both), and percent amine nitrogen or number of cationic charges (or both) per 1000 molecular weight. The most important factor for selecting an appropriate QSAR is the chemical class, since the QSARs in ECOSAR are class-specific.
Furthermore effect value of 0.031 mg/L poses the worst case of all predicted values from ECOSAR classes of anilines and amino-meta anilines might relevant for assessment of Caprinoguanamine.
Reference
ECOSAR predicted an EC50 of 0.031 mg/L in green algae for the class of aromatic triazines. This class is considered the most relevant for assessment of Caprinoguanamine.
Selection of the appropriate QSAR within ECOSAR is based on a variety of information depending on the chemical class. This includes factors like the chemical structure, chemical class, log Kow, molecular weight, physical state, water solubility, number of carbons or ethoxylates (or both), and percent amine nitrogen or number of cationic charges (or both) per 1000 molecular weight. The most important factor for selecting an appropriate QSAR is the chemical class, since the QSARs in ECOSAR are class-specific.
Furthermore effect value of 0.031 mg/L poses the worst case of all predicted values from ECOSAR classes of anilines and amino-meta anilines might relevant for assessment of Caprinoguanamine.
Description of key information
The EC50 of 0.031 mg/L in green algae obtained from an ECOSAR prediction was used for assessment of Caprinoguanamine.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 0.031 mg/L
Additional information
ECOSAR predicted an EC50 of 0.031 mg/L in green algae for the class of aromatic triazines. This class is considered the most relevant for assessment of Caprinoguanamine.
Selection of the appropriate QSAR within ECOSAR is based on a variety of information depending on the chemical class. This includes factors like the chemical structure, chemical class, log Kow, molecular weight, physical state, water solubility, number of carbons or ethoxylates (or both), and percent amine nitrogen or number of cationic charges (or both) per 1000 molecular weight. The most important factor for selecting an appropriate QSAR is the chemical class, since the QSARs in ECOSAR are class-specific.
Furthermore effect value of 0.031 mg/L poses the worst case of all predicted values from ECOSAR classes of anilines and amino-meta anilines might relevant for assessment of Caprinoguanamine.
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