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Density

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Reference
Endpoint:
density, other
Remarks:
Density
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:
Estimated data from ACD/Labs
Qualifier:
according to guideline
Guideline:
other: Estimated data
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of 1,4-bis[(2-methylphenyl)amino]anthraquinone and estimated data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Estimated data from ACD/Labs
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
Type:
density
Density:
1.292 g/cm³
Temp.:
20 °C
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using ACD/I-Lab 2.0, the density of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 1.292 g/cm3 at temperature 20 Deg C.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 1.292 g/cm3 at temperature 20 Deg C.

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 1.292 g/cm3 at temperature 20 Deg C.

Key value for chemical safety assessment

Relative density at 20C:
1.292

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be 1.292 g/cm3 at temperature 20 Deg C.