1-Amino-4,8-dihydroxy-5-(methylamino)anthraquinone
Basic information
- CAS
13643-37-3- Standard SMILES
CNc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O- InChIKey
NGNLGMGUWBMKHI-UHFFFAOYSA-N- Molecular formula
- C15H12N2O4
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.07970687
Names & identifiers
- Preferred name
- 1-Amino-4,8-dihydroxy-5-(methylamino)anthraquinone
- IUPAC
- 1-amino-4,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
- English name
- 1-amino-4,8-dihydroxy-5-(methylamino)anthraquinone
- Molecular formula
- C15H12N2O4
- Molecular weight
- 284.26678
Names & synonyms
13643-37-39,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-(methylamino)-1-amino-4,8-dihydroxy-5-(methylamino)anthracene-9,10-dione1-Amino-4,8-dihydroxy-5-(methylamino)anthraquinone1-Amino-5-(N-methylamino)-4,8-dihydroxyanthraquinone8LRU8EG7PCEINECS 237-130-4DTXSID50655681-AMINO-4,8-DIHYDROXY-5-(METHYLAMINO)-9,10-ANTHRACENEDIONERefChem:429317DTXCID4034368237-130-4
Show more names
8-Amino-1,5-dihydroxy-4-methylaminoanthraquinone
UNII-8LRU8EG7PCSCHEMBL10811263NGNLGMGUWBMKHI-UHFFFAOYSA-NDB-273278NS00024423
Database identifiers
- CAS
13643-37-3- PubChem CID
- 83633
- DTXSID
DTXSID5065568- UNII
- 8LRU8EG7PC
- EC Number
- 237-130-4
- Nikkaji
- J53.426I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 8 LRU8EG7PC · 8LRU8EG7PC
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-(methylamino)- (13643-37-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-(methylamino)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-(methylamino)-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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