Cas no 3137-55-1 (4(3H)-Pyrimidinone,6-hydrazinyl-5-nitro-)
3137-55-1 structure
Product Name:4(3H)-Pyrimidinone,6-hydrazinyl-5-nitro-
CAS No:3137-55-1
MF:C4H5N5O3
MW:171.114199399948
CID:316078
PubChem ID:135408638
Update Time:2025-04-19
4(3H)-Pyrimidinone,6-hydrazinyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinone,6-hydrazinyl-5-nitro-
- 6-hydrazinyl-5-nitro-1H-pyrimidin-4-one
- 4-Hydrazino-5-nitro-pyrimidin-6(1H)-on
- 4-Pyrimidinol, 6-hydrazino-5-nitro- (keto form)
- 6-hydrazino-5-nitro-3H-pyrimidin-4-one
- 6-hydrazino-5-nitro-4-pyrimidinol
- AC1N22DJ
- NSC54422
- AKOS002902456
- 3137-55-1
- AKOS006334076
- 4-hydrazino-6-oxo-5-nitropyrimidine
- NSC-54422
- NSC 54422
- DTXSID50398707
-
- Inchi： 1S/C4H5N5O3/c5-8-3-2(9(11)12)4(10)7-1-6-3/h1H,5H2,(H2,6,7,8,10)
- InChI Key： JMHQXDHUSORWFI-UHFFFAOYSA-N
- SMILES： O=C1C(=C(N=CN1)NN)[N+](=O)[O-]
Computed Properties
- Exact Mass: 171.03935
- Monoisotopic Mass: 171.039239
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 288
- 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: 125
- XLogP3: -0.7
Experimental Properties
- Density: 2.08
- Boiling Point: 308.2°Cat760mmHg
- Flash Point: 140.2°C
- Refractive Index: 1.83
- PSA: 122.65
- LogP: 0.26020
4(3H)-Pyrimidinone,6-hydrazinyl-5-nitro- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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