Basic information
- CAS
58965-11-0- Standard SMILES
CCCCc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
RVKLSGHATZZOCO-UHFFFAOYSA-N- Molecular formula
- C24H22N2O5S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.12494298
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-
- IUPAC
- 1-amino-4-(4-butylanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C24H22N2O5S
- Molecular weight
- 450.51
Names & synonyms
EINECS 261-524-52-Anthracenesulfonic acid, 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-DTXSID60692962-Anthracenesulfonic acid, 1-amino-4-((4-butylphenyl)amino)-9,10-dihydro-9,10-dioxo-RefChem:465285DTXCID804250758965-11-01-Amino-4-((4-butylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acidSCHEMBL14641966RVKLSGHATZZOCO-UHFFFAOYSA-NDB-291334
Show more names
1-Amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
NS000340511-Amino-4-(4-butylanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Database identifiers
- CAS
58965-11-0
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo- (58965-11-0)
- 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.
Hazard information
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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