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Physical & Chemical properties

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
Reference:
Composition 1
Composition 2
Qualifier:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
WSKOW v1.42 was used to estimate the water solubility of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione
GLP compliance:
not specified
Type of method:
other: estimated data
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione
- Molecular formula: C26H30N2O2
- Molecular weight: 402.535 g/mol
- Smiles notation: O=C1c2c(c(NC3CCCCC3)ccc2)C(=O)c2cccc(NC3CCCCC3)c12
- InChl: 1S/C26H30N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2
- 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
Remarks:
No other data available
Conclusions:
The estimated water solubility of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione at 25 deg C was 2.401E-06 mg/l
Executive summary:

WSKOW v1.42 was used to estimate the water solubility of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione.

The estimated water solubility of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione at 25 deg C was 2.401E-06 mg/l

Based on the estimated value, 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was insoluble in water.

Description of key information

The estimated water solubility of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione at 25 deg C was 2.401E-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 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione.

The estimated water solubility of 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione at 25 deg C was 2.401E-06 mg/l

Based on the estimated value, 1,5-bis(cyclohexylamino)-9,10-dihydroanthracene-9,10-dione was insoluble in water