Registration Dossier
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EC number: 280-898-0 | CAS number: 83803-79-6
Endpoint summary
Administrative data
Description of key information
Hydrolysis
HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound
N-(4-((4-(dimethylamino)phenyl)(4-(phenylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium acetate (CAS No. 83803 -79 -6). The estimated half-life of test chemical was estimated to be 16.337 and 1.634 days at pH 7 and 8 (at 25 deg C) respectively, indicating that it undergoes slow to negligible hydrolysis.
Additional information
Hydrolysis
Various predicted data for the target chemicalN-(4-((4-(dimethylamino)phenyl)(4-(phenylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium acetate(CAS No. 83803-79-6) were reviewed for the hydrolysis end point which are summarized as below:
In aprediction done using the HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model, the hydrolysis half-life of test compound N-(4 -((4 -(dimethylamino)phenyl)(4 -(phenylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium acetate(CAS No. 83803-79-6) was estimated.The estimated half-life of test chemical was estimated to be 16.337 and 1.634 days at pH 7 and 8 (at 25 deg C) respectively, indicating that it undergoes slow to negligible hydrolysis.
In an another prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, the hydrolysis of N-(4 -((4 -(dimethylamino)phenyl)(4 -(phenylamino)naphthalen-1 -yl)methylene)cyclohexa-2,5 -dienylidene)-N-methylmethanaminium acetate was predicted.The estimated half-life of N-(4 -((4 -(dimethylamino)phenyl)(4 -(phenylamino)naphthalen-1 -yl)methylene) cyclohexa-2,5 -dienylidene)-N-methylmethanaminium acetate was estimated to be 229.26 days, indicating that it is not hydrolysable.
On the basis of the above results for target chemicalN-(4-((4-(dimethylamino)phenyl)(4-(phenylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dienylidene)-N-methylmethanaminium acetate (from OECD QSAR toolbox version 3.4 and EPI Suite, 2017), it can be concluded that the test chemical N-(4 -((4 -(dimethylamino)phenyl)(4 -(phenylamino)naphthalen-1 -yl) methylene)cyclohexa-2,5 -dienylidene)-N-methylmethanaminium acetate undergoes slow to negligible hydrolysis.
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