1,5-Diamino-2,4,6,8-tetrabromoanthraquinone
Basic information
- CAS
81-56-1- Standard SMILES
Nc1c(Br)cc(Br)c2c1C(=O)c1c(Br)cc(Br)c(N)c1C2=O- InChIKey
KNOYUKKOVLJJRM-UHFFFAOYSA-N- Molecular formula
- C14H6Br4N2O2
- Average molar mass
- 553.8 g/mol
- Monoisotopic mass
- 549.71628
Names & identifiers
- Preferred name
- 1,5-Diamino-2,4,6,8-tetrabromoanthraquinone
- IUPAC
- 1,5-diamino-2,4,6,8-tetrabromoanthracene-9,10-dione
- English name
- 1,5-diamino-2,4,6,8-tetrabromoanthraquinone
- Molecular formula
- C14H6Br4N2O2
- Molecular weight
- 553.82564
Names & synonyms
1,5-Diamino-2,4,6,8-tetrabromoanthraquinone81-56-11,5-diamino-2,4,6,8-tetrabromoanthracene-9,10-dioneEINECS 201-361-9SCHEMBL5565610DTXSID20230842KNOYUKKOVLJJRM-UHFFFAOYSA-NNS000381381,5-diamino-2,4,6,8-tetrabromo-anthracene-9,10-dione1,5-Diamino-2,4,6,8-tetrabromo-9,10-anthracenedione
Database identifiers
- CAS
81-56-1- PubChem CID
- 66483
- DTXSID
DTXSID20230842- EC Number
- 201-361-9
- Nikkaji
- J192.588A
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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Compound notes
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