Cas no 123510-88-3 (4-Pyrimidinamine,2-hydrazinyl-)
123510-88-3 structure
Product Name:4-Pyrimidinamine,2-hydrazinyl-
CAS No:123510-88-3
MF:C4H7N5
MW:125.131879091263
CID:104097
Update Time:2024-01-24
4-Pyrimidinamine,2-hydrazinyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,2-hydrazinyl-
- 2(1H)-Pyrimidinone, 4-amino-, hydrazone (9CI)
- 4-Pyrimidinamine, 2-hydrazinyl-
-
- Inchi： 1S/C4H7N5/c5-3-1-2-7-4(8-3)9-6/h1-2H,6H2,(H3,5,7,8,9)
- InChI Key： JVWXRNRYJAAKJB-UHFFFAOYSA-N
- SMILES： C1(NN)=NC=CC(N)=N1
Computed Properties
- Exact Mass: 124.06248
- Monoisotopic Mass: 125.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 85
- 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: 89.8A^2
Experimental Properties
- Density: 1?+-.0.1 g/cm3(Predicted)
- Boiling Point: 282.1±43.0 °C(Predicted)
- PSA: 90.18
- pka: 8.10±0.70(Predicted)
4-Pyrimidinamine,2-hydrazinyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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