Cas no 15987-03-8 (Pyrazine, 2-hexyl-3-methyl-)
Pyrazine, 2-hexyl-3-methyl- structure
Product Name:Pyrazine, 2-hexyl-3-methyl-
CAS No:15987-03-8
MF:C11H18N2
MW:178.274022579193
CID:1339210
Update Time:2024-08-17
Pyrazine, 2-hexyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
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- Pyrazine, 2-hexyl-3-methyl-
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- Inchi： 1S/C11H18N2/c1-3-4-5-6-7-11-10(2)12-8-9-13-11/h8-9H,3-7H2,1-2H3
- InChI Key： QPYWBTXBGYJXPF-UHFFFAOYSA-N
- SMILES： C1(CCCCCC)=NC=CN=C1C
Computed Properties
- Exact Mass: 178.147
- Monoisotopic Mass: 178.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 125
- 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: 3.2
- Topological Polar Surface Area: 25.8A^2
Experimental Properties
- Density: 0.933±0.06 g/cm3(Predicted)
- Boiling Point: 254.0±35.0 °C(Predicted)
- pka: 1.99±0.10(Predicted)
Pyrazine, 2-hexyl-3-methyl- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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