Basic information
- CAS
81-69-6- Standard SMILES
Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)O- InChIKey
VZKVROOYNMPMLU-UHFFFAOYSA-N- Molecular formula
- C20H15N3O8S2
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.03005679
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
- IUPAC
- 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C20H15N3O8S2
- Molecular weight
- 489.48
Names & synonyms
2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-DTXSID50588522-Anthracenesulfonic acid, 1-amino-4-((4-amino-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-RefChem:465295DTXCID404819981-69-62-Anthracenesulfonicacid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-1-amino-4-(4-amino-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acidSulfoparablueUSAF ND-60BRN 2928257EINECS 201-370-8
Show more names
2-Anthraquinonesulfonic acid, 1-amino-4-(4-amino-3-sulfonanilino)- (6ci)1-Amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-Amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
1-Amino-2-sulfo-4-(4'-amino-3'-sulfoanilino)anthraquinone1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidSCHEMBL6876404CHEMBL1208089VZKVROOYNMPMLU-UHFFFAOYSA-N2-Anthraquinonesulfonic acid, 1-amino-4-(4-amino-3-sulfonanilino)-2-Anthracenesulfonic acid, 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxo-Acide 1-amino-4-(4-amino-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonique
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 294 °C · 294°C (rough estimate)
- Density
- 1.44 · 1.4400 (rough estimate)
- refractive index
- 1.639 · 1.6390 (estimate)
- pka
- -1.44 · -1.44±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo- (81-69-6)
- 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-4-[(4-amino-3-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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