Cas no 68171-55-1 (2-methyl-3-(2-methylpropoxy)pyrazine)
68171-55-1 structure
Product Name:2-methyl-3-(2-methylpropoxy)pyrazine
CAS No:68171-55-1
MF:C9H14N2O
MW:166.220262050629
CID:969352
PubChem ID:109684
Update Time:2025-04-19
2-methyl-3-(2-methylpropoxy)pyrazine Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-3-(2-methylpropoxy)pyrazine
- 2-Isobutoxy-3-methylpyrazine
- Pyrazine, 2-methyl-3-(2-methylpropoxy)-
- DTXSID5071208
- 0U0AW68EE6
- EINECS 269-031-7
- UNII-0U0AW68EE6
- NS00036461
- 68171-55-1
- IFMWCMUHPVMQDW-UHFFFAOYSA-N
-
- Inchi： 1S/C9H14N2O/c1-7(2)6-12-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3
- InChI Key： IFMWCMUHPVMQDW-UHFFFAOYSA-N
- SMILES： O(C1C(C)=NC=CN=1)CC(C)C
Computed Properties
- Exact Mass: 166.11072
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 128
- 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: 2.8
- Topological Polar Surface Area: 35?2
Experimental Properties
- PSA: 35.01
2-methyl-3-(2-methylpropoxy)pyrazine Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
68171-55-1 (2-methyl-3-(2-methylpropoxy)pyrazine) Related Products
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