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EC number: 245-821-7 | CAS number: 23680-84-4
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2 -Chloro-6,7 -dimethoxy quinazolin-4 -amine (CAS No. 23680 -84 -4). The soil adsorption coefficient i.e Koc value of 2-Chloro-6,7-dimethoxyquinazolin-4-amine was estimated to be 430.4 L/kg (log Koc=2.6339) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
Additional information
Adsorption / desorption
Various predicted data for the target compound 2-Chloro-6,7-dimethoxyquinazolin-4-amine (CAS No. 23680-84-4) were reviewed for the adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2 -Chloro-6,7 -dimethoxy quinazolin-4 -amine (CAS No. 23680 -84 -4). The soil adsorption coefficient i.e Koc value of 2-Chloro-6,7-dimethoxyquinazolin-4-amine was estimated to be 430.4 L/kg (log Koc=2.6339) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1, 1.24, 7.43, 50.5, 133, 160 and 163 at pH range 1, 2, 3, 4, 5, 6 and 7-14, respectively (log Koc value ranges from 0 to 2.2 ± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine has a low sorption to soil and therefore have moderate migration potential to groundwater.
In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine (CAS no. 23680 -84 -4) was estimated. The adsorption coefficient (Koc) value of test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine was estimated to be 154.61 (Log Koc = 2.189) at pH 5.5 and 165.45 (log Koc = 2.218) at pH 7.4, respectively. This Koc value indicates that the test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine has a low sorption to soil and therefore have moderate migration potential to groundwater.
Additional soil adsorption coefficient i.e Koc value of test chemical2 -Chloro-6,7 -dimethoxyquinazolin-4 -amine (CAS No. 23680 -84 -4)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of 2-Chloro-6,7-dimethoxyquinazolin-4-amine was estimated to be 1.0, 3.64, 24.7, 65.3, 78.2, 79.8 and 80.0 (log Koc value ranges from 0 to 1.9) (at 25 deg C). This Koc value indicates that the substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
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 adsorption coefficient i.e KOC for test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine was estimated to be 499 L/kg (log Koc = 2.698).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
On the basis of above overall results for target chemical 2-Chloro-6,7-dimethoxyquinazolin-4-amine (from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substance 2-Chloro-6,7-dimethoxyquinazolin-4-amine ranges from 1–499 indicating that the test chemical2-Chloro-6,7-dimethoxyquinazolin-4-aminehas a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.
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