Registration Dossier
Registration Dossier
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EC number: 608-591-2 | CAS number: 31221-06-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: No report available
Data source
Reference
- Reference Type:
- other: calculated
- Title:
- QSAR Estimations for Diazobarbituric acid (CAS: 31221-06-4)
- Author:
- EPI Suite 4.1
Materials and methods
- Principles of method if other than guideline:
- A "fragment constant" methodology is used to predict log P. For this, a structure is divided into fragments (atom or larger functional groups) and coefficient values of each fragment or group are summed together to yield the log KOW estimate.
- GLP compliance:
- no
- Type of method:
- other: Calculation by KOWWIN v1.67
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrione
- EC Number:
- 608-591-2
- Cas Number:
- 31221-06-4
- Molecular formula:
- C4H2N4O3
- IUPAC Name:
- 5-Diazo-2,4,6(1H, 3H, 5H)-pyrimidinetrione
- Reference substance name:
- 5-diazonio-2,4-dioxo-1H-pyrimidin-6-olate
- IUPAC Name:
- 5-diazonio-2,4-dioxo-1H-pyrimidin-6-olate
- Details on test material:
- related to pure substance
Constituent 1
Constituent 2
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.51
Any other information on results incl. tables
Temperature and pH are not specified.
Any decomposition of the substance in water (e.g. due to hydrolysis, photolysis) is not taken into account by the program.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of Diazobarbituric acid is calculated as logPow = 0.51.
- Executive summary:
The partition coefficient of Diazobarbituric acid is calculated as logPow = 0.51.
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