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EC number: 240-834-4 | CAS number: 16803-97-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- data is from modelling databases
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.
- GLP compliance:
- not specified
- Other quality assurance:
- other: No data
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material : 4-amino-N-(4-aminophenyl)benzenesulphonamide
- Molecular formula : C12H13N3O2S
- Molecular weight : 263.32 g/mol
- Smiles notation : O=S(=O)(c1ccc(cc1)Nc1ccc(cc1)N)N
- InChl : 1S/C12H13N3O2S/c13-9-1-3-10(4-2-9)15-11-5-7-12(8-6-11)18(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
- Substance type : Organic
- Physical state : Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- 0.202
- Remarks on result:
- other: Hydrophillic
- Details on results:
- No more data available
- Conclusions:
- The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.
The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016.
Based on the estimated value, the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.
Reference
Description of key information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.
The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016. Based on the estimated value, the test substance 4-amino-N-(4-aminophenyl) benzenesulphonamide can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 4-amino-N- (4-aminophenyl)benzenesulphonamide.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.202
Additional information
Based on the available data in a key study from modeling databases, the octanol water partition coefficient (log Pow) value of the test substance 4-amino-N-(4-aminophenyl) benzenesulphonamide (16803 -97 -7) was determine. KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide. The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016.
Based on the estimated value, the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.
In a supporting study from predicted data. The partition coefficient (log Kow) of test chemical 4-amino-N-(4-aminophenyl)benzenesulphonamide (Cas no. 16803 -97 -7) was determined to be 0.1 ±.0.35. Based on the predicted data chemical 4-amino-N-(4-aminophenyl)benzenesulphonamide can be considered to be hydrophilic in nature.
Thus based on the predicted data it was concluded that the chemical was hydrophilic in nature.
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