1,8-Diamino-2,4,5,7-tetrachloroanthraquinone

HCID 16205366

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Basic information

CAS: 83578-92-1
Standard SMILES: Nc1c(Cl)cc(Cl)c2c1C(=O)c1c(N)c(Cl)cc(Cl)c1C2=O
InChIKey: ADWASFABXNYXBP-UHFFFAOYSA-N
Molecular formula: C14H6Cl4N2O2
Average molar mass: 376 g/mol
Monoisotopic mass: 373.918338

Names & identifiers

Preferred name: 1,8-Diamino-2,4,5,7-tetrachloroanthraquinone
IUPAC: 1,8-diamino-2,4,5,7-tetrachloroanthracene-9,10-dione
English name: 1,8-diamino-2,4,5,7-tetrachloroanthraquinone
Molecular formula: C14H6Cl4N2O2
Molecular weight: 376.02164

Names & synonyms

1,8-Diamino-2,4,5,7-tetrachloroanthraquinone83578-92-1EINECS 280-497-01,8-Diamino-2,4,5,7-tetrachloroanthracene-9,10-dioneMX5JN6KX5MSCHEMBL29181058ADWASFABXNYXBP-UHFFFAOYSA-NDTXSID601003580NS00058291Anthraquinone,1,8-diamino-2,4,5,7-tetrachloro-1,8-Diamino-2,4,5,7-tetrachloro-9,10-anthracenedione

Database identifiers

CAS: 83578-92-1
PubChem CID: 16205366
DTXSID: DTXSID601003580
UNII: MX5JN6KX5M
EC Number: 280-497-0
Nikkaji: J326.826H

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 465

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Chemistry & industry

Suppliers1 total

湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

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