Cas no 108653-51-6 (Pyrazine, 2-methyl-5-(1-propenyl)-)
108653-51-6 structure
Product Name:Pyrazine, 2-methyl-5-(1-propenyl)-
CAS No:108653-51-6
MF:C8H10N2
MW:134.178401470184
CID:3595126
PubChem ID:583830
Update Time:2025-04-22
Pyrazine, 2-methyl-5-(1-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 2-methyl-5-(1-propenyl)-
- 2-Methyl-5-(1-propenyl)pyrazine
- DTXSID501303684
- SCHEMBL9797910
- 108653-51-6
- 2-methyl-5-propenylpyrazine
-
- Inchi： 1S/C8H10N2/c1-3-4-8-6-9-7(2)5-10-8/h3-6H,1-2H3
- InChI Key： KFZIJPOISUVMAW-UHFFFAOYSA-N
- SMILES： C1(C)=NC=C(C=CC)N=C1
Computed Properties
- Exact Mass: 134.084398327Da
- Monoisotopic Mass: 134.084398327Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.2
- Topological Polar Surface Area: 25.8?2
Pyrazine, 2-methyl-5-(1-propenyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
108653-51-6 (Pyrazine, 2-methyl-5-(1-propenyl)-) Related Products
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