9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-
Basic information
- CAS
52576-59-7- Standard SMILES
COc1ccc(Nc2ccc(N)c3c2C(=O)c2c(O)ccc([N+](=O)[O-])c2C3=O)cc1- InChIKey
ZMADRZYRRIKVJV-UHFFFAOYSA-N- Molecular formula
- C21H15N3O6
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.09608521
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-
- IUPAC
- 1-amino-5-hydroxy-4-(4-methoxyanilino)-8-nitroanthracene-9,10-dione
- English name
- 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitroanthraquinone
- Molecular formula
- C21H15N3O6
- Molecular weight
- 405.36
Names & synonyms
EINECS 258-013-49,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-1-Amino-4-((4-methoxyphenyl)amino)-5-hydroxy-8-nitro-9,10-anthracenedioneDTXSID70687689,10-Anthracenedione, 1-amino-5-hydroxy-4-((4-methoxyphenyl)amino)-8-nitro-RefChem:548696DTXCID604121252576-59-71-Amino-5-hydroxy-4-((4-methoxyphenyl)amino)-8-nitroanthraquinone1-AMINO-5-HYDROXY-4-[(4-METHOXYPHENYL)AMINO]-8-NITROANTHRAQUINONE1-amino-5-hydroxy-4-(4-methoxyanilino)-8-nitroanthracene-9,10-dione75CCU4ZZA6
Show more names
1-Amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitroanthracene-9,10-dione
SCHEMBL11785311SCHEMBL31037856ZMADRZYRRIKVJV-UHFFFAOYSA-NDB-291340NS000325311-Amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-9,10-anthracenedione
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro- (52576-59-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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