Cas no 159661-41-3 (1,2-Benzenediol, 4,5-diamino-)
1,2-Benzenediol, 4,5-diamino- structure
Product Name:1,2-Benzenediol, 4,5-diamino-
CAS No:159661-41-3
MF:C6H8N2O2
MW:140.139921188354
CID:1338810
PubChem ID:15492681
Update Time:2025-04-20
1,2-Benzenediol, 4,5-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4,5-diamino-
- AKOS006362939
- 4,5-Diamino catechol
- 4,5-diamino-pyrocatechol
- 159661-41-3
- SCHEMBL3744884
- DB-128677
- 4,5-Diaminobenzene-1,2-diol
- 4,5-diamino-benzene-1,2-diol
- 4,5-diamino-1,2-benzenediol
-
- Inchi: 1S/C6H8N2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H,7-8H2
- InChI Key: ZHIQGHXDBNQDAU-UHFFFAOYSA-N
- SMILES: OC1C(=CC(=C(C=1)N)N)O
Computed Properties
- Exact Mass: 140.05864
- Monoisotopic Mass: 140.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 106
- 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: -0.2
- Topological Polar Surface Area: 92.5?2
Experimental Properties
- PSA: 92.5
1,2-Benzenediol, 4,5-diamino- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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