2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-
Basic information
- CAS
6247-36-5- Standard SMILES
Cc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1- InChIKey
ZXJLRDYNAAGYLU-UHFFFAOYSA-N- Molecular formula
- C21H16N2O8S2
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.03480782
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-
- IUPAC
- 1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-Amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-2-anthracenesulfonic acid
- Molecular formula
- C21H16N2O8S2
- Molecular weight
- 488.49
Names & synonyms
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-2-sulfophenyl)amino)-9,10-dioxo-2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-DTXSID2064159RefChem:465325DTXCID90433546247-36-5Acid Blue 145 Free AcidSCHEMBL14642058ZXJLRDYNAAGYLU-UHFFFAOYSA-N494T7W9RR41-Amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-2-anthracenesulfonic acid1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonicacid
Show more names
1-Amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(2-sulfo-p-toluidino)-
Database identifiers
- CAS
6247-36-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo- (6247-36-5)
- 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 Information2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-2-sulfophenyl)amino]-9,10-dioxo-: INACTIVE
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Related reactions
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Compound notes
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