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Partition coefficient

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Reference
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:
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.

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.