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117-79-3 | 9,10-Anthracenedione, 2-amino-
CAS No: 117-79-3 Catalog No: AG000DI8 MDL No:MFCD00001233
Product Description
Catalog Number:
AG000DI8
Chemical Name:
9,10-Anthracenedione, 2-amino-
CAS Number:
117-79-3
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD00001233
IUPAC Name:
2-aminoanthracene-9,10-dione
InChI:
InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
InChI Key:
XOGPDSATLSAZEK-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
EC Number:
204-208-4
UNII:
65Z03V2Z09
NSC Number:
5
RTECS Number:
CB5120000
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| High-performance supercapacitor electrodes based on graphene hydrogels modified with 2-aminoanthraquinone moieties. | Physical chemistry chemical physics : PCCP 20110621 |
| 2-Aminoanthraquinone. | Report on carcinogens : carcinogen profiles 20110101 |
| Estrogenic activity of anthraquinone derivatives: in vitro and in silico studies. | Chemical research in toxicology 20100816 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Photophysical properties of 2-amino-9,10-anthraquinone: evidence for structural changes in the molecule with solvent polarity. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20050101 |
| Influence of functional group substitutions on the carcinogenicity of anthraquinone in rats and mice: analysis of long-term bioassays by the National Cancer Institute and the National Toxicology Program. | Journal of toxicology and environmental health. Part B, Critical reviews 20050101 |
| 2-Aminoanthraquinone. | Report on carcinogens : carcinogen profiles 20040101 |
| 2-Aminoanthraquinone. | Report on carcinogens : carcinogen profiles 20020101 |
| Bioassay of 2-aminoanthraquinone for possible carcinogenicity. | National Cancer Institute carcinogenesis technical report series 19780101 |
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