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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:
Predicted data from ACD/Labs
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of test item and predicted data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: predicted data
Specific details on test material used for the study:
- Name of test material: 4-(phenylazo)benzene-1,3-diamine acetate
- IUPAC name: 4-(phenylazo)benzene-1,3-diamine acetate
- Molecular formula: C14H16N4O2
- Molecular weight: 272.306 g/mole
- Smiles : c1(ccc(c(N)c1)\N=N\c1ccccc1)N.C(C)(=O)O
- Inchl: 1S/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)/b16-15+;
- Substance type: Organic
- Physical state: Solid
Key result
Type:
density
Density:
1.43 g/cm³
Remarks on result:
other: Estimated value is 1.43 ± 0.1 g/cm3
Conclusions:
The density of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 1.43 ± 0.1 g/cm3.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 1.43 ± 0.1 g/cm3.

Description of key information

The density of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 1.43 ± 0.1 g/cm3.

Key value for chemical safety assessment

Relative density at 20C:
1.43

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 4-(phenylazo)benzene-1,3-diamine acetate was estimated to be 1.43 ± 0.1 g/cm3.