9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
4702-65-2- Standard SMILES
Cc1cc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)ccc1O- InChIKey
WSZULUJFSWLUAF-UHFFFAOYSA-N- Molecular formula
- C21H16N2O5
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.10592162
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-
- IUPAC
- 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthracene-9,10-dione
- English name
- 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthraquinone
- Molecular formula
- C21H16N2O5
- Molecular weight
- 376.36
Names & synonyms
4702-65-2EINECS 225-182-09,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-1,5-Diamino-4,8-dihydroxy-3-(4-hydroxy-3-methylphenyl)anthraquinoneDTXSID1063566RefChem:548729DTXCID70405284,8-Diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthraquinoneX7JG8WE7JB4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)anthracene-9,10-dioneWSZULUJFSWLUAF-UHFFFAOYSA-N4,8-Diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-9,10-anthracenedione
Show more names
NS00031661
Database identifiers
- CAS
4702-65-2- PubChem CID
- 78430
- DTXSID
DTXSID1063566- UNII
- X7JG8WE7JB
- EC Number
- 225-182-0
- Nikkaji
- J297.899G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Boiling point
- 736.6 · 736.6±60.0 °C(Predicted)
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- pka
- 5.97 · 5.97±0.20(Predicted)
- FDA UNII
- 7 JG8WE7JB · X7JG8WE7JB
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)- (4702-65-2)
- 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, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxy-3-methylphenyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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