Cas no 68290-66-4 (Pyrazine, 3-chloro-5-(1-methylethyl)-2-(2-methylpropyl)-)
68290-66-4 structure
Product Name:Pyrazine, 3-chloro-5-(1-methylethyl)-2-(2-methylpropyl)-
CAS No:68290-66-4
MF:C11H17ClN2
MW:212.719081640244
CID:1734193
PubChem ID:11622597
Update Time:2025-04-21
Pyrazine, 3-chloro-5-(1-methylethyl)-2-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 3-chloro-5-(1-methylethyl)-2-(2-methylpropyl)-
- 3-chloro-2-(2-methylpropyl)-5-propan-2-ylpyrazine
- 68290-66-4
- DTXSID80469590
-
- Inchi： 1S/C11H17ClN2/c1-7(2)5-9-11(12)14-10(6-13-9)8(3)4/h6-8H,5H2,1-4H3
- InChI Key： UJOWMZXRNCBJPP-UHFFFAOYSA-N
- SMILES： ClC1C(CC(C)C)=NC=C(C(C)C)N=1
Computed Properties
- Exact Mass: 212.1080262g/mol
- Monoisotopic Mass: 212.1080262g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 171
- 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: 3.5
- Topological Polar Surface Area: 25.8?2
Pyrazine, 3-chloro-5-(1-methylethyl)-2-(2-methylpropyl)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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