1-Amino-2,4-dihydroxyanthraquinone
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Basic information
- CAS
81-51-6- Standard SMILES
Nc1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
QUXBARPXUAPKDG-UHFFFAOYSA-N- Molecular formula
- C14H9NO4
- Average molar mass
- 255.22 g/mol
- Monoisotopic mass
- 255.05315777
Names & identifiers
- Preferred name
- 1-Amino-2,4-dihydroxyanthraquinone
- IUPAC
- 1-amino-2,4-dihydroxyanthracene-9,10-dione
- English name
- 1-amino-2,4-dihydroxyanthraquinone
- Molecular formula
- C14H9NO4
- Molecular weight
- 255.22556
Names & synonyms
1-Amino-2,4-dihydroxyanthraquinone81-51-6Xanthopurpurin, 4-amino-1a-2,4doaANTHRAQUINONE, 1-AMINO-2,4-DIHYDROXY-1A-2,4DOA [Russian]9,10-Anthracenedione, 1-amino-2,4-dihydroxy-4-Amino-1,3-dihydroxyanthraquinone1-Amino-2,4-dioxyanthraquinoneCM7E3BR2XNEINECS 201-356-1NSC 81259
Show more names
Purpurinamide4-Aminoxanthopurpurin1-amino-2,4-dihydroxyanthra-9,10-quinone1-Amino-2,4-dihydroxy-9,10-anthraquinone1-amino-2,4-dihydroxyanthracene-9,10-dione1-azanyl-2,4-dihydroxy-anthracene-9,10-dione
BRN 30617761-Amino-2,4-dioxyanthraquinone [Russian]UNII-CM7E3BR2XNNSC-81259DTXSID002308403-14-00-00681 (Beilstein Handbook Reference)1-AMINO-2,4-DIHYDROXY-9,10-ANTHRACENEDIONERefChem:74855
Database identifiers
- CAS
81-51-6- PubChem CID
- 6682
- DTXSID
DTXSID00230840- UNII
- CM7E3BR2XN
- EC Number
- 201-356-1
- Nikkaji
- J8.605C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 7 E3BR2XN · CM7E3BR2XN
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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