1-Amino-4,5-dihydroxy-8-((4-methoxyphenyl)amino)anthraquinone
Basic information
- CAS
55851-03-1- Standard SMILES
COc1ccc(Nc2ccc(O)c3c2C(=O)c2c(N)ccc(O)c2C3=O)cc1- InChIKey
FVDCIMLUEXXHPJ-UHFFFAOYSA-N- Molecular formula
- C21H16N2O5
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.10592162
Names & identifiers
- Preferred name
- 1-Amino-4,5-dihydroxy-8-((4-methoxyphenyl)amino)anthraquinone
- IUPAC
- 1-amino-4,5-dihydroxy-8-(4-methoxyanilino)anthracene-9,10-dione
- English name
- 1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]anthraquinone
- Molecular formula
- C21H16N2O5
- Molecular weight
- 376.36
Names & synonyms
EINECS 259-859-755851-03-1W6H8VZ84ZW1-Amino-4,5-dihydroxy-8-(4-methoxyphenylamino)anthraquinone1-amino-4,5-dihydroxy-8-(4-methoxyanilino)anthracene-9,10-dione9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]-DTXSID40690589,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-((4-methoxyphenyl)amino)-1-Amino-4,5-dihydroxy-8-((4-methoxyphenyl)amino)anthraquinone1-AMINO-4,5-DIHYDROXY-8-[(4-METHOXYPHENYL)AMINO]ANTHRAQUINONERefChem:429313DTXCID0041983
Show more names
1-Amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]-9,10-anthracenedione
259-859-7UNII-W6H8VZ84ZWSCHEMBL10816415FVDCIMLUEXXHPJ-UHFFFAOYSA-NNS00033415
Database identifiers
- CAS
55851-03-1- PubChem CID
- 108779
- DTXSID
DTXSID4069058- UNII
- W6H8VZ84ZW
- EC Number
- 259-859-7
- Nikkaji
- J296.516J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- FDA UNII
- 6 H8VZ84ZW · W6H8VZ84ZW
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]- (55851-03-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]-: INACTIVE
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Related reactions
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Compound notes
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