Cas no 31626-19-4 (9,10-Anthracenedione,1,5-diaminodibromo-4,8-dihydroxy-)
31626-19-4 structure
Product Name:9,10-Anthracenedione,1,5-diaminodibromo-4,8-dihydroxy-
CAS No:31626-19-4
MF:C14H8Br2N2O4
MW:428.032321929932
CID:306747
PubChem ID:161719
Update Time:2025-04-19
9,10-Anthracenedione,1,5-diaminodibromo-4,8-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,1,5-diaminodibromo-4,8-dihydroxy-
- 1,5-diamino-2,3-dibromo-4,8-dihydroxyanthracene-9,10-dione
- 1,5-Diaminodibromo-4,8-dihydroxyanthraquinone
- EINECS 250-735-8
- 1,5-diaminodibromo-4,8-dihydroxy-10-anthracenedione
- DTXSID501014893
- Dibromo-1,5-diamino-4,8-dihydroxyanthraquinone
- 31626-19-4
-
- Inchi： 1S/C14H8Br2N2O4/c15-9-10(16)14(22)8-7(11(9)18)13(21)6-4(19)2-1-3(17)5(6)12(8)20/h1-2,19,22H,17-18H2
- InChI Key： SPVORLXNUCZWOC-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C2C(C3C(=CC=C(C=3C(C=2C=1N)=O)O)N)=O)O)Br
Computed Properties
- Exact Mass: 425.88500
- Monoisotopic Mass: 425.88508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 505
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 127?2
Experimental Properties
- PSA: 126.64000
- LogP: 3.72500
9,10-Anthracenedione,1,5-diaminodibromo-4,8-dihydroxy- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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