9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-
Basic information
- CAS
7098-08-0- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(O)c(-c3ccc(O)cc3)cc(N)c1C2=O- InChIKey
MOLVDYADKVCUCB-UHFFFAOYSA-N- Molecular formula
- C20H14N2O5
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.09027155
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-
- IUPAC
- 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)anthracene-9,10-dione
- English name
- 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)anthraquinone
- Molecular formula
- C20H14N2O5
- Molecular weight
- 362.33556
Names & synonyms
7098-08-01,5-Diamino-4,8-dihydroxy-3-(4-hydroxyphenyl)anthraquinoneEINECS 230-404-49,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-DTXSID80645634,8-Diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-9,10-anthracenedione4,8-Diamino-1,5-dihydroxy-2-(p-hydroxyphenyl)anthracen-9,10-dioneRefChem:107471DTXCID80468704,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)anthracene-9,10-dione9M73UX6UB74,8-Diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)anthraquinone
Show more names
UNII-9M73UX6UB7SCHEMBL7532583SCHEMBL31037863MOLVDYADKVCUCB-UHFFFAOYSA-NNS00037137
Database identifiers
- CAS
7098-08-0- PubChem CID
- 81541
- DTXSID
DTXSID8064563- UNII
- 9M73UX6UB7
- EC Number
- 230-404-4
- Nikkaji
- J31.571K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 9 M73UX6UB7 · 9M73UX6UB7
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)- (7098-08-0)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-: ACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…