1-Hydroxy-4-[(4-methoxyphenyl)amino]-9,10-anthracenedione
Basic information
- CAS
23552-76-3- Standard SMILES
COc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
RUUQNDPKAFJWBM-UHFFFAOYSA-N- Molecular formula
- C21H15NO4
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.10010796
Names & identifiers
- Preferred name
- 1-Hydroxy-4-[(4-methoxyphenyl)amino]-9,10-anthracenedione
- IUPAC
- 1-hydroxy-4-(4-methoxyanilino)anthracene-9,10-dione
- English name
- 1-hydroxy-4-[(4-methoxyphenyl)amino]anthraquinone
- Molecular formula
- C21H15NO4
- Molecular weight
- 345.35
Names & synonyms
23552-76-31-p-Anisidino-4-hydroxyanthraquinoneU8LIZ11F4PEINECS 245-730-29,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)amino]-UNII-U8LIZ11F4P1-Hydroxy-4-[(4-methoxyphenyl)amino]-9,10-anthracenedioneDTXSID00669079,10-Anthracenedione, 1-hydroxy-4-((4-methoxyphenyl)amino)-1-Hydroxy-4-((4-methoxyphenyl)amino)-9,10-anthracenedione1-HYDROXY-4-(P-METHOXYANILINO)ANTHRAQUINONERefChem:75991
Show more names
1-hydroxy-4-[(4-methoxyphenyl)amino]anthraquinone1-hydroxy-4-[(4-methoxyphenyl)amino]-10-anthracenedione1-hydroxy-4- [(4-methoxyphenyl)amino]-9,10-Anthracenedione
DTXCID5036896245-730-21-hydroxy-4-(4-methoxyanilino)anthracene-9,10-dioneSCHEMBL10658788RUUQNDPKAFJWBM-UHFFFAOYSA-NSTK368421AKOS000668535NS00027449
Database identifiers
- CAS
23552-76-3- PubChem CID
- 90158
- DTXSID
DTXSID0066907- UNII
- U8LIZ11F4P
- EC Number
- 245-730-2
- Nikkaji
- J228.997K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 534.1 · 534.1±50.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- pka
- 8.02 · 8.02±0.20(Predicted)
- FDA UNII
- 8 LIZ11F4P · U8LIZ11F4P
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)amino]- (23552-76-3)
- 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.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)amino]-
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 Information9,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)amino]-: INACTIVE
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Compound notes
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