Cas no 76643-49-7 (9,10-Anthracenedione,4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)-)
76643-49-7 structure
Product Name:9,10-Anthracenedione,4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)-
CAS No:76643-49-7
MF:C22H26N2O4
MW:382.452846050262
CID:571402
PubChem ID:16205319
Update Time:2025-04-19
9,10-Anthracenedione,4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)-
- 4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)anthracene-9,10-dione
- 4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)anthraquinone
- 76643-49-7
- EINECS 278-507-3
- 4,5-Diamino-1,8-dihydroxy-2,7-diisobutylanthracene-9,10-dione
- NS00037821
- SCHEMBL10542332
- DTXSID10227463
-
- Inchi： 1S/C22H26N2O4/c1-9(2)5-11-7-13(23)15-17(19(11)25)22(28)18-16(21(15)27)14(24)8-12(20(18)26)6-10(3)4/h7-10,25-26H,5-6,23-24H2,1-4H3
- InChI Key： CZJZMSRDRZJNSB-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C2C(C3C(=CC(=C(C=3C(C=21)=O)O)CC(C)C)N)=O)N)CC(C)C
Computed Properties
- Exact Mass: 382.18938
- Monoisotopic Mass: 382.189257
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 559
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 127
- XLogP3: 5.1
Experimental Properties
- Density: 1.305
- Boiling Point: 665.8°C at 760 mmHg
- Flash Point: 356.5°C
- Refractive Index: 1.662
- PSA: 126.64
9,10-Anthracenedione,4,5-diamino-1,8-dihydroxy-2,7-bis(2-methylpropyl)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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