1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
Basic information
- CAS
6846-21-5- Standard SMILES
CC(=O)Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2c(cccc2S(=O)(=O)[O-])C3=O)cc1.[Na+].[Na+]- InChIKey
RDATXYOAATWVCR-UHFFFAOYSA-L- Molecular formula
- C22H15N3Na2O9S2
- Average molar mass
- 575.5 g/mol
- Monoisotopic mass
- 575.00450998
Names & identifiers
- Preferred name
- 1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;8-(4-acetamidoanilino)-5-amino-9,10-dioxoanthracene-1,6-disulfonate
- English name
- disodium 1-amino-4-[N-(4-acetylaminophenyl)amino]anthracene-2,5-disulphonate
- Molecular formula
- C22H17N3Na2O7S2
- Molecular weight
- 545.49582
Names & synonyms
6846-21-5EINECS 229-932-81,6-Anthracenedisulfonic acid, 8-((4-(acetylamino)phenyl)amino)-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)RefChem:735721,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, disodium salt1,6-Anthracenedisulfonic acid, 8-((4-(acetylamino)phenyl)amino)-5-amino-9,10-dihydro-9,10-dioxo-, disodium saltDTXSID3064487SCHEMBL11311917Disodium 1-amino-4-(N-(4-acetylaminophenyl)amino)anthracene-2,5-disulphonateDisodium 8-(4-acetamidoanilino)-5-amino-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonatedisodium 1-amino-4-[N-(4-acetylaminophenyl)amino]anthracene-2,5-disulphonate
Show more names
8-[[4-(Acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxoanthracene-1,6-disulfonic acid disodium salt
Properties
Computed structural properties
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, disodium salt (6846-21-5)
- 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 Information1,6-Anthracenedisulfonic acid, 8-[[4-(acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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