Cas no 861584-13-6 (1,2-Benzenediol,4,5-diamino-, hydrochloride (1:2))
861584-13-6 structure
Product Name:1,2-Benzenediol,4,5-diamino-, hydrochloride (1:2)
CAS No:861584-13-6
MF:C6H9ClN2O2
MW:176.600860357285
CID:718348
Update Time:2024-01-31
1,2-Benzenediol,4,5-diamino-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediol,4,5-diamino-, hydrochloride (1:2)
- Pyrocatechol, 4,5-diamino-, di-HCl
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- Inchi： 1S/C6H8N2O2.ClH/c7-3-1-5(9)6(10)2-4(3)8;/h1-2,9-10H,7-8H2;1H
- InChI Key： NORFRNLSWPHCLN-UHFFFAOYSA-N
- SMILES： NC1C=C(O)C(O)=CC=1N.Cl
Computed Properties
- Exact Mass: 212.012
- Monoisotopic Mass: 212.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 106
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 92.5A^2
1,2-Benzenediol,4,5-diamino-, hydrochloride (1:2) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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