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Physical & Chemical properties

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 and Scifinder
Reference:
Composition 1
Composition 2
Qualifier:
according to
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
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 5-acetamido-2-aminobenzenesulphonic acid
- IUPAC name: 2-amino-5-acetamidobenzene-1-sulfonic acid
- Molecular formula: C8H10N2O4S
- Molecular weight: 230.243 g/mole
- Smiles :O=C(Nc1ccc(N)c(S(=O)(=O)O)c1)C
- Inchl: 1S/C8H10N2O4S/c1-5(11)10-6-2-3-7(9)8(4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
- Substance type: Organic
- Physical state: Solid crystal powder (white to yellowish grey)
Key result
Type:
density
Density:
1.56 g/cm³
Remarks on result:
other: Estimated value is 1.560 ± 0.06 g/cm3
Conclusions:
The density of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 1.560 ± 0.06 g/cm3
Executive summary:

Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 1.560 ± 0.06 g/cm3

Description of key information

The density of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 1.560 ± 0.06 g/cm3

Key value for chemical safety assessment

Relative density at 20C:
1.56

Additional information

Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 1.560 ± 0.06 g/cm3