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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 isfrom modelling databases.
Qualifier:
according to guideline
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate Octanol water partition coefficent of test chemical 4-methoxy-2-methyl-N-phenylaniline.
GLP compliance:
not specified
Type of method:
other: estimation
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: 4-methoxy-2-methyl-N-phenylaniline
- IUPAC name: 4-methoxy-2-methyl-N-phenylaniline
- Molecular formula: C14H15NO
- Molecular weight: 213.279 g/mol
- Smiles: c1(c(cc(cc1)OC)C)Nc1ccccc1
- InChl: 1S/C14H15NO/c1-11-10-13(16-2)8-9-14(11)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
- Substance type: Organic
- Physical state: Solid dry powder
Key result
Type:
log Pow
Partition coefficient:
3.92
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The estimated log Pow of target chemical 4-methoxy-2-methyl-N-phenylaniline is 3.9195 dimensionless by this value this chemical is considered as hydrophilic in nature.
Executive summary:

Octanol water partition coefficient of the 4-methoxy-2-methyl-N-phenylaniline (CAS no.41317 -15 -1) was estimated. The estimated log POW of the 4-methoxy-2-methyl-N-phenylaniline was 3.9195 dimesionless. On the basis of estimated value, the 4-methoxy-2-methyl-N-phenylaniline can be considered as hydrophilic in nature.

Description of key information

Octanol water partition coefficient of the4-methoxy-2-methyl-N-phenylaniline (CAS no.41317 -15 -1) was estimated. The estimated log POW of the4-methoxy-2-methyl-N-phenylanilinewas 3.9195 dimesionless. On the basis of estimated value, the4-methoxy-2-methyl-N-phenylanilinecan be considered as hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.92
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient of the 4-methoxy-2-methyl-N-phenylaniline (CAS no.41317 -15 -1) was estimated. The estimated log POW of the 4-methoxy-2-methyl-N-phenylaniline was 3.9195 dimesionless. On the basis of estimated value, the 4-methoxy-2-methyl-N-phenylaniline can be considered as hydrophilic in nature.