Cas no 78246-14-7 (Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)-)
78246-14-7 structure
Product Name:Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)-
CAS No:78246-14-7
MF:C11H18N2O
MW:194.273422718048
CID:534823
PubChem ID:528116
Update Time:2025-04-19
Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)-
- 2-ethoxy-3-methyl-5-(2-methylpropyl)pyrazine
- Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)
- DTXSID30335953
- 2-Ethoxy-5-isobutyl-3-methylpyrazine
- 78246-14-7
- VDQQWQBPRGKQBH-UHFFFAOYSA-N
- CHEMBL94974
-
- Inchi： 1S/C11H18N2O/c1-5-14-11-9(4)13-10(7-12-11)6-8(2)3/h7-8H,5-6H2,1-4H3
- InChI Key： VDQQWQBPRGKQBH-UHFFFAOYSA-N
- SMILES： O(CC)C1=C(C)N=C(C=N1)CC(C)C
Computed Properties
- Exact Mass: 194.141913202g/mol
- Monoisotopic Mass: 194.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 161
- 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: 2.5
- Topological Polar Surface Area: 35?2
Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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