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81-49-2 | 1-amino-2,4-dibromoanthraquinone
CAS No: 81-49-2 Catalog No: AG0036LA MDL No:MFCD00019155
Product Description
Catalog Number:
AG0036LA
Chemical Name:
1-amino-2,4-dibromoanthraquinone
CAS Number:
81-49-2
Molecular Formula:
C14H7Br2NO2
Molecular Weight:
381.0189
MDL Number:
MFCD00019155
IUPAC Name:
1-amino-2,4-dibromoanthracene-9,10-dione
InChI:
InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
InChI Key:
ZINRVIQBCHAZMM-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N
EC Number:
201-354-0
UNII:
RF75O3IKOZ
NSC Number:
3529
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.882g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.023g/mol
Monoisotopic Mass:
378.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Investigation of the early-response genes in chemical-induced renal carcinogenicity for the prediction of chemical carcinogenicity in rats. | The Journal of toxicological sciences 20170101 |
| 1-Amino-2,4-dibromoanthraquinone. | Report on carcinogens : carcinogen profiles 20110101 |
| Estrogenic activity of anthraquinone derivatives: in vitro and in silico studies. | Chemical research in toxicology 20100816 |
| Combined experimental and theoretical study on photoinduced toxicity of an anthraquinone dye intermediate to Daphnia magna. | Environmental toxicology and chemistry 20090401 |
| 1-Amino-2,4-dibromoanthraquinone. | Report on carcinogens : carcinogen profiles 20040101 |
| Point mutations of K-ras and H-ras genes in forestomach neoplasms from control B6C3F1 mice and following exposure to 1,3-butadiene, isoprene or chloroprene for up to 2-years. | Chemico-biological interactions 20010601 |
| High frequency of ras mutations in forestomach and lung tumors of B6C3F1 mice exposed to 1-amino-2,4-dibromoanthraquinone for 2 years. | Toxicologic pathology 20010101 |
| NTP Toxicology and Carcinogenesis Studies of 1-Amino-2,4-Dibromoanthraquinone (CAS No. 81-49-2) in F344/N Rats and B6C3F1 Mice (Feed Studies). | National Toxicology Program technical report series 19960801 |
| Use of rat liver altered focus models for testing chemicals that have completed two-year carcinogenicity studies. | Toxicologic pathology 19890101 |
| Observations on altered hepatocellular foci in National Toxicology Program two-year carcinogenicity studies in rats. | Toxicologic pathology 19890101 |
| Thirteen-week toxicology studies of 1-amino-2,4-dibromoanthraquinone in Fischer 344/N rats and B6C3F1 mice. | Toxicology and applied pharmacology 19860315 |
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