9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-
Basic information
- CAS
68516-76-7- Standard SMILES
Cc1ccc(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1- InChIKey
DDWVBJNBOANWJV-UHFFFAOYSA-N- Molecular formula
- C31H28N2O2
- Average molar mass
- 460.6 g/mol
- Monoisotopic mass
- 460.21507814
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-
- IUPAC
- 1-(2,4-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione
- English name
- 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]anthraquinone
- Molecular formula
- C31H28N2O2
- Molecular weight
- 460.57
Names & synonyms
EINECS 271-179-29,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-DTXSID50715939,10-Anthracenedione, 1-((2,4-dimethylphenyl)amino)-4-((2,4,6-trimethylphenyl)amino)-RefChem:548611DTXCID104605968516-76-7SCHEMBL20520388DDWVBJNBOANWJV-UHFFFAOYSA-N1-(2,4-dimethylanilino)-4-(2,4,6-trimethylanilino)anthracene-9,10-dioneNS000366271-((2,4-Dimethylphenyl)amino)-4-((2,4,6-trimethylphenyl)amino)anthraquinone
Show more names
1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]anthraquinone1-[(2,4-Dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-9,10-anthracenedione9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino] -4-[(2,4,6-trimethylphenyl)amino]-
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 770
Physicochemical properties
- Boiling point
- 637.3 · 637.3±55.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- -0.44 · -0.44±0.20(Predicted)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]- (68516-76-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-[(2,4-dimethylphenyl)amino]-4-[(2,4,6-trimethylphenyl)amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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