Basic information
- CAS
85280-21-3- Standard SMILES
Cc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(N)(=O)=O)c1.[Na+]- InChIKey
DLHUBHGUFOJHRR-UHFFFAOYSA-M- Molecular formula
- C21H16N3NaO7S2
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.03273649
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
- IUPAC
- sodium 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxoanthracene-2-sulfonate
- English name
- sodium 1-amino-4-[[(aminosulphonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
- Molecular formula
- C21H16N3NaO7S2
- Molecular weight
- 509.48741
Names & synonyms
85280-21-3EINECS 286-574-52-Anthracenesulfonic acid, 1-amino-4-(((aminosulfonyl)-4-methylphenyl)amino)-9,10-dihydro-9,10-dioxo-, monosodium salt2-Anthracenesulfonic acid, 1-amino-4-(((aminosulfonyl)-4-methylphenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)2-Anthracenesulfonic acid, 1-amino-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt2-Anthracenesulfonic acid, 1-amino-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)RefChem:85430Sodium 1-amino-4-(((aminosulphonyl)-4-methylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonateDLHUBHGUFOJHRR-UHFFFAOYSA-MDTXSID901005761NS00065236Sodium 1-amino-4-(4-methyl-2-sulfamoylanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Show more names
Sodium 1-amino-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulfonatesodium 1-amino-4-[[(aminosulphonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
Database identifiers
- CAS
85280-21-3- PubChem CID
- 23674279
- DTXSID
DTXSID901005761- EC Number
- 286-574-5
Properties
Computed structural properties
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt (85280-21-3)
- 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-4-[[(aminosulfonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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