1,8-Diamino-2,7-dichloro-4,5-bis((4-methylphenyl)amino)anthraquinone
Basic information
- CAS
83578-94-3- Standard SMILES
Cc1ccc(Nc2cc(Cl)c(N)c3c2C(=O)c2c(Nc4ccc(C)cc4)cc(Cl)c(N)c2C3=O)cc1- InChIKey
WEDWGYBEXOZUHF-UHFFFAOYSA-N- Molecular formula
- C28H22Cl2N4O2
- Average molar mass
- 517.4 g/mol
- Monoisotopic mass
- 516.1119813
Names & identifiers
- Preferred name
- 1,8-Diamino-2,7-dichloro-4,5-bis((4-methylphenyl)amino)anthraquinone
- IUPAC
- 1,8-diamino-2,7-dichloro-4,5-bis(4-methylanilino)anthracene-9,10-dione
- English name
- 1,8-diamino-2,7-dichloro-4,5-bis[(4-methylphenyl)amino]anthraquinone
- Molecular formula
- C28H22Cl2N4O2
- Molecular weight
- 517.40588
Names & synonyms
83578-94-31,8-Diamino-2,7-dichloro-4,5-bis(p-tolylamino)anthracene-9,10-dioneEINECS 280-498-61,8-Diamino-2,7-dichloro-4,5-bis((4-methylphenyl)amino)anthraquinoneWEDWGYBEXOZUHF-UHFFFAOYSA-NDTXSID3010035811,8-Diamino-2,7-dichloro-4,5-bis(4-methylanilino)anthracene-9,10-dioneNS000597221,8-diamino-2,7-dichloro-4,5-bis[(4-methylphenyl)amino]anthraquinone1,8-Diamino-2,7-dichloro-4,5-bis[(4-methylphenyl)amino]-9,10-anthracenedione
Database identifiers
- CAS
83578-94-3- PubChem CID
- 16205367
- DTXSID
DTXSID301003581- EC Number
- 280-498-6
- Nikkaji
- J326.827F
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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