Basic information
- CAS
27341-33-9- Standard SMILES
COc1cccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c1- InChIKey
UNQABTJUSVYLOV-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.11609238
Overview
See other relationships...
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]-
- IUPAC
- 1-amino-4-(3-methoxyanilino)anthracene-9,10-dione
- English name
- 1-amino-4-[(3-methoxyphenyl)amino]anthraquinone
- Molecular formula
- C21H16N2O3
- Molecular weight
- 344.36334
Names & synonyms
EINECS 248-417-99,10-Anthracenedione, 1-amino-4-((methoxyphenyl)amino)-9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]-RefChem:54867488653-15-01-amino-4-((3-methoxyphenyl)amino)anthracene-9,10-dione1-Amino-4-((3-methoxyphenyl)amino)anthraquinone27341-33-91-amino-4-(3-methoxyanilino)anthracene-9,10-dioneEINECS 289-435-7UNQABTJUSVYLOV-UHFFFAOYSA-NDTXSID501384197
Show more names
1-amino-4-[(3-methoxyphenyl)amino]anthraquinone1-Amino-4-[(3-methoxyphenyl)amino]-9,10-anthracenedione
NS000661121-Amino-4-((methoxyphenyl)amino)anthraquinone1-Amino-4-[(methoxyphenyl)amino]-9,10-anthracenedione
Database identifiers
- CAS
27341-33-9、88653-15-0- PubChem CID
- 33784
- DTXSID
DTXSID501384197
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
- 551
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 Information
Chemical: 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]-
Hazard Traits - Bioaccumulation; Environmental Persistence
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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