Cas no 298210-79-4 (1-Butanone,1-(3,5-dimethyl-2-pyrazinyl)-)
298210-79-4 structure
Product Name:1-Butanone,1-(3,5-dimethyl-2-pyrazinyl)-
CAS No:298210-79-4
MF:C10H14N2O
MW:178.230962276459
CID:249288
PubChem ID:45099695
Update Time:2025-04-19
1-Butanone,1-(3,5-dimethyl-2-pyrazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone,1-(3,5-dimethyl-2-pyrazinyl)-
- 1-Butanone,1-(3,5-dimethylpyrazinyl)- (9CI)
- 1-(3,5-DIMETHYLPYRAZIN-2-YL)BUTAN-1-ONE
- 1-Butanone,1-(3,5-dimethylpyrazinyl)-(9CI)
- 298210-79-4
- DTXSID80668061
-
- Inchi： 1S/C10H14N2O/c1-4-5-9(13)10-8(3)12-7(2)6-11-10/h6H,4-5H2,1-3H3
- InChI Key： SOUSMWWPHLACOI-UHFFFAOYSA-N
- SMILES： O=C(C1C(C)=NC(C)=CN=1)CCC
Computed Properties
- Exact Mass: 178.11072
- Monoisotopic Mass: 178.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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
- Surface Charge: 0
- Tautomer Count: 15
- XLogP3: 1.4
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
1-Butanone,1-(3,5-dimethyl-2-pyrazinyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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