Cas no 147900-77-4 (1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo-)
147900-77-4 structure
Product Name:1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo-
CAS No:147900-77-4
MF:C6H8N2O3
MW:156.139321327209
CID:100636
PubChem ID:45083908
Update Time:2025-04-18
1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo-
- 4-METHYL-2,5-DIOXOPIPERAZINE-1-CARBALDEHYDE
- 1-Piperazinecarboxaldehyde, 4-methyl-2,5-dioxo- (9CI)
- DTXSID00665512
- 147900-77-4
-
- Inchi: 1S/C6H8N2O3/c1-7-2-6(11)8(4-9)3-5(7)10/h4H,2-3H2,1H3
- InChI Key: BQZLZDGUEQGSBY-UHFFFAOYSA-N
- SMILES: O=C1CN(C=O)C(CN1C)=O
Computed Properties
- Exact Mass: 156.05354
- Monoisotopic Mass: 156.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 214
- 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: 57.7A^2
- XLogP3: -1.1
Experimental Properties
- PSA: 57.69
1-Piperazinecarboxaldehyde,4-methyl-2,5-dioxo- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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