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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:
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 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid 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 (IUPAC name): 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid
- Molecular formula: C11H11NO4S
- Molecular weight: 253.2769 g/mol
- Smiles notation: CNc1ccc2cc(cc(c2c1)O)S(=O)(=O)O
- InChl: 1S/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
- Substance type: Organic
- Physical state: Solid
Key result
Type:
density
Density:
1.542 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 chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid was estimated to be 1.542 g/cm3 at temperature 20 Deg C.
Executive summary:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid was estimated to be 1.542 g/cm3 at temperature 20 Deg C.

Description of key information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid was estimated to be 1.542 g/cm3 at temperature 20 Deg C.

Key value for chemical safety assessment

Relative density at 20C:
1.542

Additional information

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid was estimated to be 1.542 g/cm3 at temperature 20 Deg C.