Basic information
- CAS
23060-42-6- Standard SMILES
COc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
MMFCPKYGMSQKCQ-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11609238
Names & identifiers
- Preferred name
- 1-Amino-4-((4-methoxyphenyl)amino)anthraquinone
- IUPAC
- 1-amino-4-(4-methoxyanilino)anthracene-9,10-dione
- English name
- 1-amino-4-[(4-methoxyphenyl)amino]anthraquinone
- Molecular formula
- C21H16N2O3
- Molecular weight
- 344.36
Names & synonyms
EINECS 245-405-59,10-Anthracenedione, 1-amino-4-[(4-methoxyphenyl)amino]-DTXSID70668519,10-Anthracenedione, 1-amino-4-((4-methoxyphenyl)amino)-1-Amino-4-((4-methoxyphenyl)amino)anthraquinone1-AMINO-4-[(4-METHOXYPHENYL)AMINO]ANTHRAQUINONERefChem:429326DTXCID4036803245-405-523060-42-61-Amino-4-((4-methoxyphenyl)amino)anthracene-9,10-dione1-amino-4-(4-methoxyanilino)anthracene-9,10-dione
Show more names
1-Amino-4-[(4-methoxyphenyl)amino]-9,10-anthracenedione
SCHEMBL10808936MMFCPKYGMSQKCQ-UHFFFAOYSA-NAKOS024340966DISPERSE DYE (C.I. 61115)NS00027339
Database identifiers
- CAS
23060-42-6- PubChem CID
- 89984
- DTXSID
DTXSID7066851- EC Number
- 245-405-5
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Boiling point
- 582.9 · 582.9±50.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 0.73 · 0.73±0.20(Predicted)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4-[(4-methoxyphenyl)amino]- (23060-42-6)
- Hazard statements
- 413 · H413
- 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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H413
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4-[(4-methoxyphenyl)amino]-: INACTIVE
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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