Basic information
- CAS
54946-60-0- Standard SMILES
COc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
MURCBJRRFKMCAT-UHFFFAOYSA-N- Molecular formula
- C21H16N2O6S
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.07290741
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-
- IUPAC
- 1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C21H16N2O6S
- Molecular weight
- 424.43
Names & synonyms
EINECS 259-402-12-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo-DTXSID10689842-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxo-RefChem:465319DTXCID504180954946-60-0PSB-416SB-4161-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid1-Amino-9,10-dihydro-4-((4-methoxyphenyl)amino)-9,10-dioxoanthracene-2-sulphonic acidGTPL9468
Show more names
1-Amino-4-(p-anisidino)-2-sulfoanthraquinone1-Amino-4-(4-methoxyphenylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonic acid
CHEMBL1207381SCHEMBL13214092MURCBJRRFKMCAT-UHFFFAOYSA-NNS000332101-Amino-4-(4-methoxyanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methoxyphenyl)amino]-9,10-dioxo- (54946-60-0)
- 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-methoxyphenyl)amino]-9,10-dioxo-: INACTIVE
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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