1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione
Basic information
- CAS
81-94-7- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccc4c5c(cccc35)C(=O)c3ccccc3-4)cccc21- InChIKey
IYIHHRQMVJYLAX-UHFFFAOYSA-N- Molecular formula
- C31H17NO3
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.1208434
Names & identifiers
- Preferred name
- 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione
- IUPAC
- 1-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
- English name
- 1-[(7H-benz[de]anthracen-3-yl-7-oxo)amino]anthraquinone
- Molecular formula
- C31H17NO3
- Molecular weight
- 451.47158
Names & synonyms
9,10-Anthracenedione, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-6PEI1ELZ2SNSC-13987DTXSID50588589,10-Anthracenedione, 1-((7-oxo-7H-benz(de)anthracen-3-yl)amino)-1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione1-[(7-Oxo-7H-benz[de]anthracen-3-yl)amino]-9,10-anthracenedioneRefChem:418775DTXCID104820581-94-7NSC139871-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
Show more names
1-(7-Oxo-7H-benz[de]anthracen-3-ylamino)anthraquinone
NSC 13987Anthraquinone, 1-(benzathronyl-3'-amino)-1-[(7H-Benz[de]anthracen-3-yl-7-oxo)amino]anthraquinone1((7-Oxo-7H-benz(de)anthracene-3-yl)amino)anthraquinoneAnthraquinone, 1-((7-oxo-7H-benz(de)anthracen-3-yl)amino)-1-((7H-Benz(de)anthracen-3-yl-7-oxo)amino)anthraquinone1[(7-Oxo-7H-benz[de]anthracene-3-yl)amino]anthraquinoneAnthraquinone, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-
Database identifiers
- CAS
81-94-7- PubChem CID
- 66496
- DTXSID
DTXSID5058858- ChEMBL
CHEMBL1741812- UNII
- 6PEI1ELZ2S
- EC Number
- 201-388-6
- Nikkaji
- J53.452H
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 882
Physicochemical properties
- FDA UNII
- 6 PEI1ELZ2S · 6PEI1ELZ2S
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]- (81-94-7)
- 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-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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