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EC number: 218-441-4 | CAS number: 2152-64-9
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model (2017) in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenyl imino)cyclohexa- 2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride was estimated to be 131000 L/kg (log Koc = 5.117).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
Additional information
Adsorption / desorption
Predicted data for the target compound N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride(CAS No. 2152-64-9) and supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model (2017) in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa- 2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS no. 2152-64-9) was estimated to be 131000 L/kg (log Koc = 5.117).The predicted KOC result based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride (CAS no. 548-62-9), adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene) dimethylammonium, chloride. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of substance (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride was estimated to be 610000 (Log Koc = 5.785).
On the basis of above overall results for target chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride(from EPI suite,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substance N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloridewas estimated to be 131000 L/kgindicating that the test chemical N-phenyl-4 -[[4 -(phenyl amino)phenyl][4 -(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloridehas a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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