Basic information
- CAS
3263-47-6- Standard SMILES
CC(O)c1cccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc([N+](=O)[O-])c2C3=O)c1- InChIKey
NJAPNCQWPKMTGE-UHFFFAOYSA-N- Molecular formula
- C22H16N2O7
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.09575085
Overview
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Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-dihydroxy-4-[[3-(1-hydroxyethyl)phenyl]amino]-8-nitro-
- IUPAC
- 1,5-dihydroxy-4-[3-(1-hydroxyethyl)anilino]-8-nitroanthracene-9,10-dione
- English name
- 1,5-dihydroxy-4-[m-(1-hydroxyethyl)anilino]-8-nitroanthraquinone
- Molecular formula
- C22H16N2O7
- Molecular weight
- 420.37164
Names & synonyms
EINECS 221-872-09,10-Anthracenedione, 1,5-dihydroxy-4-[[3-(1-hydroxyethyl)phenyl]amino]-8-nitro-DTXSID908834851,5-Dihydroxy-8-nitro-4-((3'-(1''-hydroxyethyl)phenyl)amino)anthraquinone9,10-Anthracenedione, 1,5-dihydroxy-4-((3-(1-hydroxyethyl)phenyl)amino)-8-nitro-RefChem:548589DTXCID6010230133263-47-61,5-Dihydroxy-4-[m-(1-hydroxyethyl)anilino]-8-nitroanthraquinone1,5-Dihydroxy-4-(m-(1-hydroxyethyl)anilino)-8-nitroanthraquinone1,5-dihydroxy-4-[3-(1-hydroxyethyl)anilino]-8-nitroanthracene-9,10-dioneNJAPNCQWPKMTGE-UHFFFAOYSA-N
Show more names
1,5-Dihydroxy-4-[m-(1-hydroxyethyl)anilino]-8-nitro-9,10-anthraquinone
NS00048807
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-dihydroxy-4-[[3-(1-hydroxyethyl)phenyl]amino]-8-nitro- (3263-47-6)
- 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, 1,5-dihydroxy-4-[[3-(1-hydroxyethyl)phenyl]amino]-8-nitro-: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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