1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid
Basic information
- CAS
128-98-3- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
IIZQAPDECJYKDK-UHFFFAOYSA-N- Molecular formula
- C21H16N2O7S2
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.0398932
Names & identifiers
- Preferred name
- 1-Amino-9,10-dihydro-9,10-dioxo-4-P-toluenesulfonamidoanthracene-2-sulfonic acid
- IUPAC
- 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulphonamidoanthracene-2-sulphonic acid
- Molecular formula
- C21H16N2O7S2
- Molecular weight
- 472.49
Names & synonyms
128-98-32-anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-D2A3XL838TEINECS 204-925-2DTXSID90595931-Amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulphonamidoanthracene-2-sulphonic acid2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(((4-methylphenyl)sulfonyl)amino)-9,10-dioxo-1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulfonamidoanthracene-2-sulfonic acid2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluenesulfonamido-1-AMINO-9,10-DIHYDRO-4-(((4-METHYLPHENYL)SULFONYL)AMINO)-9,10-DIOXO-2-ANTHRACENESULFONIC ACID1-Amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-2-anthracenesulfonic acidRefChem:429382
Show more names
1-amino-9,10-dihydro-4-[[(4-methylphenyl) sulfonyl]amino]-9,10-dioxo-2-Anthracenesulfonic acid
DTXCID5033917204-925-21-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonic acidNSC319987HMS587K14ChemDiv1_000234UNII-D2A3XL838TSCHEMBL9174847
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 961
Physicochemical properties
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- pka
- -1.39 · -1.39±0.20(Predicted)
- FDA UNII
- 2 A3XL838T · D2A3XL838T
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo- (128-98-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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