1,4-Bis((2,6-dimethylphenyl)amino)anthraquinone
Basic information
- CAS
7639-96-5- Standard SMILES
Cc1cccc(C)c1Nc1ccc(Nc2c(C)cccc2C)c2c1C(=O)c1ccccc1C2=O- InChIKey
ROXADXZZIZDALU-UHFFFAOYSA-N- Molecular formula
- C30H26N2O2
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19942808
Names & identifiers
- Preferred name
- 1,4-Bis((2,6-dimethylphenyl)amino)anthraquinone
- IUPAC
- 1,4-bis(2,6-dimethylanilino)anthracene-9,10-dione
- English name
- 1,4-bis[(2,6-dimethylphenyl)amino]anthraquinone
- Molecular formula
- C30H26N2O2
- Molecular weight
- 446.53964
Names & synonyms
7639-96-51,4-Bis((2,6-dimethylphenyl)amino)anthracene-9,10-dione1,4-Bis((2,6-dimethylphenyl)amino)anthraquinone1,4-bis(2,6-dimethylanilino)anthracene-9,10-dione1,4-bis[(2,6-dimethylphenyl)amino]anthracene-9,10-dioneEINECS 231-572-1SCHEMBL6158366DTXSID50227220ROXADXZZIZDALU-UHFFFAOYSA-NMFCD01468353SY294084NS00037778
Show more names
1,4-bis[(2,6-dimethylphenyl)amino]anthraquinone1,4-Bis[(2,6-dimethylphenyl)amino]-9,10-anthracenedione9,10-Anthracenedione,1,4-bis[(2,6-dimethylphenyl)amino]-
1,4-bis[(2,6-dimethylphenyl)amino]anthra-9,10-quinone
Database identifiers
- CAS
7639-96-5- PubChem CID
- 82094
- DTXSID
DTXSID50227220- EC Number
- 231-572-1
- Nikkaji
- J307.920A
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 670
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
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Related reactions
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Compound notes
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