Cas no 25594-37-0 (3-Methylpyrazine 1-oxide)
3-Methylpyrazine 1-oxide structure
Product Name:3-Methylpyrazine 1-oxide
CAS No:25594-37-0
MF:C5H6N2O
MW:110.11394071579
CID:2189390
PubChem ID:573393
Update Time:2025-04-21
3-Methylpyrazine 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Methylpyrazine 1-oxide
- 3-methyl-pyrazine-1-oxide
- DB-304831
- pyrazine 1-oxide, 3-methyl-
- Pyrazine, 2-methyl-, 4-oxide
- 25594-37-0
- SCHEMBL2629384
-
- Inchi： 1S/C5H6N2O/c1-5-4-7(8)3-2-6-5/h2-4H,1H3
- InChI Key： MLURVXFBKAKBIV-UHFFFAOYSA-N
- SMILES： CC1N=CC=[N+]([O-])C=1
Computed Properties
- Exact Mass: 110.048012819Da
- Monoisotopic Mass: 110.048012819Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 76.8
- 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: -0.8
- Topological Polar Surface Area: 38.4?2
3-Methylpyrazine 1-oxide Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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