9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)-
Basic information
- CAS
4702-64-1- Standard SMILES
COc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1- InChIKey
OVPZEFAFTQSEJB-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-methoxyphenyl)-
- IUPAC
- 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione
- English name
- 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthraquinone
- Molecular formula
- C21H16N2O5
- Molecular weight
- 376.36
Names & synonyms
4702-64-19,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)-4,8-Diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthraquinoneEINECS 225-181-52-(4'-Methoxyphenyl)-4,8-diaminoanthrarufinNSC 336252BRN 2786136Anthraquinone, 4,8-diamino-1,5-dihydroxy-2-(p-methoxyphenyl)-1,5-Diamino-4,8-dihydroxy-3-(4-methoxyphenyl)anthraquinone1,5-Diamino-4,8-dihydroxy-3-(p-methoxyphenyl)anthraquinoneDTXSID60521164,8-Diamino-1,5-dihydroxy-2-(4-methoxyphenyl)-9,10-anthracenedione
Show more names
Nsc336252
4,8-Diamino-1,5-dihydroxy-2-(p-methoxyphenyl)anthracen-9,10-dioneANTHRAQUINONE, 1,5-DIAMINO-4,8-DIHYDROXY-3-(p-METHOXYPHENYL)-RefChem:548730DTXCID8030685225-181-5Modr ostacetova Se-lb4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dioneNSC-336252
Database identifiers
- CAS
4702-64-1- PubChem CID
- 20826
- DTXSID
DTXSID6052116- UNII
- NDQ3L9F7DM
- EC Number
- 225-181-5
- Nikkaji
- J55.273I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Boiling point
- 504.93 °C · 504.93°C (rough estimate)
- Density
- 1.358 · 1.3580 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 5.76 · 5.76±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 L9F7DM · NDQ3L9F7DM
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)- (4702-64-1)
- 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.
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-methoxyphenyl)-
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-methoxyphenyl)-: ACTIVE
Related reactions
1 records
Compound notes
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