Basic information
- CAS
3989-74-0- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc(N4CCCC4=O)cc3)ccc(O)c21- InChIKey
CKCZFCLSIOQPLM-UHFFFAOYSA-N- Molecular formula
- C24H18N2O4
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.12665706
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-hydroxy-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-
- IUPAC
- 1-hydroxy-4-[4-(2-oxopyrrolidin-1-yl)anilino]anthracene-9,10-dione
- English name
- 1-hydroxy-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]amino]anthracene-9,10-dione
- Molecular formula
- C24H18N2O4
- Molecular weight
- 398.41
Names & synonyms
9,10-Anthracenedione, 1-hydroxy-4-((4-(2-oxo-1-pyrrolidinyl)phenyl)amino)-DTXSID80632549,10-Anthracenedione, 1-hydroxy-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-RefChem:548705DTXCID60396853989-74-01-Hydroxy-4-((4-(2-oxopyrrolidin-1-yl)phenyl)amino)anthracene-9,10-dione1-HYDROXY-4-[[4-(2-OXOPYRROLIDIN-1-YL)PHENYL]AMINO]ANTHRACENE-9,10-DIONE1-hydroxy-4-[4-(2-oxopyrrolidin-1-yl)anilino]anthracene-9,10-dioneCKCZFCLSIOQPLM-UHFFFAOYSA-N1-Hydroxy-4-[4-(2-oxo-1-pyrrolidinyl)anilino]-9,10-anthraquinone
Database identifiers
- CAS
3989-74-0- PubChem CID
- 77607
- DTXSID
DTXSID8063254- Nikkaji
- J421.701B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-hydroxy-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]amino]- (3989-74-0)
- 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 Information9,10-Anthracenedione, 1-hydroxy-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…