Basic information
- CAS
2944-12-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)ccc(Nc3ccccc3)c21- InChIKey
YXMPVZQSOHSEJA-UHFFFAOYSA-N- Molecular formula
- C26H18N2O2
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.13682782
Names & identifiers
- Preferred name
- 1,4-Dianilinoanthraquinone
- IUPAC
- 1,4-dianilinoanthracene-9,10-dione
- English name
- 1,4-bis(phenylamino)anthraquinone
- Molecular formula
- C26H18N2O2
- Molecular weight
- 390.43332
Names & synonyms
1,4-Dianilinoanthraquinone1,4-Bis(phenylamino)anthraquinone2944-12-99,10-Anthracenedione, 1,4-bis(phenylamino)-N77892AO6OEINECS 220-943-3BLUE 917DTXSID4062729ANTHRAQUINONE, 1,4-DIANILINO-1,4-BIS(PHENYLAMINO)ANTHRACENE-9,10-DIONERefChem:416664DTXCID5037991
Show more names
220-943-31,4-dianilinoanthracene-9,10-dione1,4-dianilino-anthrachinonSCHEMBL595104UNII-N77892AO6OYXMPVZQSOHSEJA-UHFFFAOYSA-N1,4-Bis-phenylamino-anthraquinoneNS00049145
Database identifiers
- CAS
2944-12-9- PubChem CID
- 76263
- DTXSID
DTXSID4062729- UNII
- N77892AO6O
- EC Number
- 220-943-3
- Nikkaji
- J52.243K
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- FDA UNII
- 77892 AO6O · N77892AO6O
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,4-bis(phenylamino)- (2944-12-9)
- 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, 1,4-bis(phenylamino)-
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, 1,4-bis(phenylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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