Registration Dossier
Registration Dossier
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EC number: 433-400-2 | CAS number: 4245-76-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The adsorption coefficient Koc of “N-methyl-N'-nitro-guanidine” was determined according to OECD Guideline 121 using HPLC. The log Koc was estimated using an atom/fragment contribution method (Software PCKOCWIN©v 1.66).
The adsorption coefficient was estimated at pH 5.5 and 7.5 using the retention times of the test substance and of six reference substances. The dead time was determined using sodium nitrate. The dissociation constant pKaof the test substance was calculated using the software PALLAS© pKaPrediction Module 5.1, version 3.4.1.3. According to the guideline, two tests should be performed for ionisable substances with both ionised and non-ionised forms but only in cases where at least 10 % of the test compound will be dissociated within pH 5.5 to 7.5. The results of the calculation gave no pKafor the test substance. No pH correction was therefore necessary but two experimental tests at pH 5.5 and 7.5 were performed to determine the adsorption coefficient at specific pH-values. The calculated adsorption coefficient log Koc of "N-methyl-N'-nitro-guanidine" is <1.25 at pH 5.5 and pH 7.5.
Key value for chemical safety assessment
Additional information
Guideline Test Type |
Species |
Log Koc |
Reference |
Reliability |
OECD 121 |
Not applicable |
< 1.25 at pH 5.5 and 7.5 |
AlzChem, Wenighofer, T.; 2007 |
Reliable without restriction |
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