Registration Dossier
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EC number: 282-846-2 | CAS number: 84434-47-9
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene} cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is 29 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Two results including different predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical N-(4-{[4-(dimethylamino)phenyl][4-(methylamino) phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate (Cas no. 84434-47-9)were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for N-(4 -{[4 -(dimethylamino)phenyl][4 -(methylamino)phenyl]methylene} cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is 29 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is not expected to bio accumulate in the aquatic environment.
Above prediction assist by result from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance N-(4 -{[4 -(dimethylamino) phenyl][4 -(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was estimated to be 183 dimensionless.The predicted BCF result was based on the 5 OECD principles. Thus based on the BCF value it is concluded that the test substance N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene} cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate is non-bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance N-(4 -{[4 -(dimethylamino)phenyl][4 -(methylamino)phenyl] methylene}cyclohexa-2,5 -dien-1 -ylidene)-N-methylmethanaminium acetate (Cas no. 84434-47-9) is expected to be non Bioaccumulative in aquatic environment .
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