Cas no 52412-81-4 (1,4-Phthalazinedione,6,7-diamino-2,3-dihydro-)
52412-81-4 structure
Product Name:1,4-Phthalazinedione,6,7-diamino-2,3-dihydro-
CAS No:52412-81-4
MF:C8H8N4O2
MW:192.17472076416
CID:376926
PubChem ID:3080816
Update Time:2025-04-19
1,4-Phthalazinedione,6,7-diamino-2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Phthalazinedione,6,7-diamino-2,3-dihydro-
- 6,7-diamino-2,3-dihydrophthalazine-1,4-dione
- SCHEMBL9038079
- 4,5-Dph
- 1,4-Phthalazinedione, 6,7-diamino-2,3-dihydro-
- 52412-81-4
- DTXSID20200429
- 4,5-Diaminophthalhydrazide
-
- Inchi： 1S/C8H8N4O2/c9-5-1-3-4(2-6(5)10)8(14)12-11-7(3)13/h1-2H,9-10H2,(H,11,13)(H,12,14)
- InChI Key： CYMWNBRHNRVFCF-UHFFFAOYSA-N
- SMILES： O=C1C2C=C(C(=CC=2C(NN1)=O)N)N
Computed Properties
- Exact Mass: 192.065
- Monoisotopic Mass: 192.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 253
- 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: -0.9
- Topological Polar Surface Area: 110?2
Experimental Properties
- Density: 1.526g/cm3
- Refractive Index: 1.734
- LogP: 1.36780
1,4-Phthalazinedione,6,7-diamino-2,3-dihydro- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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