Cas no 68290-67-5 (Pyrazine, 3-chloro-2-(1-methylethyl)-5-(2-methylpropyl)-)
68290-67-5 structure
Product Name:Pyrazine, 3-chloro-2-(1-methylethyl)-5-(2-methylpropyl)-
CAS No:68290-67-5
MF:C11H17ClN2
MW:212.719081640244
CID:393419
PubChem ID:11629868
Update Time:2025-04-19
Pyrazine, 3-chloro-2-(1-methylethyl)-5-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 3-chloro-2-(1-methylethyl)-5-(2-methylpropyl)-
- 3-chloro-5-(2-methylpropyl)-2-propan-2-ylpyrazine
- 68290-67-5
- DTXSID60469710
-
- Inchi： 1S/C11H17ClN2/c1-7(2)5-9-6-13-10(8(3)4)11(12)14-9/h6-8H,5H2,1-4H3
- InChI Key： YCPNGBQWKCDWEJ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C)C)N=CC(CC(C)C)=N1
Computed Properties
- Exact Mass: 212.10821
- 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
Experimental Properties
- PSA: 25.78
Pyrazine, 3-chloro-2-(1-methylethyl)-5-(2-methylpropyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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