9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-
Basic information
- CAS
19014-53-0- Standard SMILES
Nc1c(Oc2ccc(CN3CCCCCC3=O)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
MUABDJUHEPDWHI-UHFFFAOYSA-N- Molecular formula
- C27H24N2O5
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.16852187
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-
- IUPAC
- 1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione
- English name
- 1-amino-2-[p-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxyanthraquinone
- Molecular formula
- C27H24N2O5
- Molecular weight
- 456.49
Names & synonyms
9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-EINECS 242-756-6DTXSID10664471-((4-((1-Amino-4-hydroxy-2-anthraquinonyl)oxy)phenyl)methyl)hexahydro-2H-azepin-2-oneAnthraquinone, 1-amino-2-(p-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)phenoxy)-4-hydroxy-9,10-Anthracenedione, 1-amino-2-(4-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)phenoxy)-4-hydroxy-RefChem:548651DTXCID10359959,10-Anthracenedione, 1-amino-2-4-(hexahydro-2-oxo-1H-azepin-1-yl)methylphenoxy-4-hydroxy-19014-53-01-amino-4-hydroxy-2-{4-[(2-oxoazepan-1-yl)methyl]phenoxy}-9,10-anthraquinone1-Amino-2-[p-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxyanthraquinone
Show more names
1-[[4-[(1-Amino-4-hydroxy-2-anthraquinonyl)oxy]phenyl]methyl]hexahydro-2H-azepin-2-one1-Amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-9,10-anthraquinone
1-amino-4-hydroxy-2-[4-[(2-oxoazepan-1-yl)methyl]phenoxy]anthracene-9,10-dione1-Amino-2-(p-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)phenoxy)-4-hydroxyanthraquinone1-amino-4-hydroxy-2-{4-[(2-oxoazepan-1-yl)methyl]phenoxy}anthracene-9,10-dioneMUABDJUHEPDWHI-UHFFFAOYSA-NNS00020760
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 779
Experimental & physicochemical properties
LogP5.3
Physicochemical properties
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy- (19014-53-0)
- 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.
Hazard information
Regulatory Information
9,10-Anthracenedione, 1-amino-2-4-(hexahydro-2-oxo-1H-azepin-1-yl)methylphenoxy-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-: ACTIVE
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Related reactions
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Compound notes
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