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EC number: 945-065-4 | CAS number: -
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 N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine (CAS:93964-07-9).
- GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
- Common name: N-(2-Ethylhexyl)-1-((2-methyl-4-((4-methylphenyl)azo)phenyl)azo)naphthalen-2-amine
- Molecular formula: C32H37N5
- Molecular weight: 491.6793 g/mol
- Smiles notation: CCCCC(CC)CNc1ccc2ccccc2c1/N=N/c3ccc(cc3C)/N=N/c4ccc(cc4)C
-InChl:1S/C32H37N5/c1-5-7-10-25(6-2)22-33-31-19-15-26-11-8-9-12-29(26)32(31)37-36-30-20-18-28(21-24(30)4)35-34-27-16-13-23(3)14-17-27/h8-9,11-21,25,33H,5-7,10,22H2,1-4H3/b35-34+,37-36+
- Substance type: Organic - Key result
- Type:
- log Pow
- Partition coefficient:
- 11.89
- Remarks on result:
- other: other details not known
- Conclusions:
- The estimated logPOW of the is 11.89.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the N-(2-ethylhexyl)-1-[[2-methyl-4- [(4-methylphenyl)azo]phenyl]azo] naphthalen-2-amine (CAS:93964-07-9). The estimated logPOW of the N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine (CAS:93964-07-9). is 11.89.
Reference
Description of key information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the N-(2-ethylhexyl)-1-[[2-methyl-4- [(4-methylphenyl)azo]phenyl]azo] naphthalen-2-amine (CAS:93964-07-9). The estimated logPOW of the N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine (CAS:93964-07-9). is 11.89.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 11.89
Additional information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the N-(2-ethylhexyl)-1-[[2-methyl-4- [(4-methylphenyl)azo]phenyl]azo] naphthalen-2-amine (CAS:93964-07-9). The estimated logPOW of the N-(2-ethylhexyl)-1-[[2-methyl-4-[(4-methylphenyl)azo]phenyl]azo]naphthalen-2-amine (CAS:93964-07-9). is 11.89.
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