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Water solubility

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Reference
Endpoint:
water solubility
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 database
Qualifier:
according to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone
GLP compliance:
not specified
Type of method:
other: estimated data
Specific details on test material used for the study:
- Name of test material : 1,4-bis[(2-methylphenyl)amino]anthraquinone
- Molecular formula : C28H22N2O2
- Molecular weight : 418.494 g/mol
- Smiles notation : c1cc2C(=O)c3c(C(=O)c2cc1)c(Nc1ccccc1C)ccc3Nc1c(cccc1)C
- InChl : 1S/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3
- Substance type : Organic
- Physical state : Solid
Key result
Water solubility:
0 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Estimated data
Conclusions:
The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone.

The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.

Based on the estimated value, 1,4-bis[(2-methylphenyl)amino]anthraquinone was insoluble in water.

Description of key information

The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.

Key value for chemical safety assessment

Water solubility:
0 mg/L
at the temperature of:
25 °C

Additional information

WSKOW v1.42 was used to estimate the water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone.

The estimated water solubility of 1,4-bis[(2-methylphenyl)amino]anthraquinone at 25 deg C was 6.975E-06 mg/l.

Based on the estimated value, 1,4-bis[(2-methylphenyl)amino]anthraquinone was insoluble in water.