Cas no 72797-18-3 (Pyrazine,2-butyl-3,?-dimethyl-)
72797-18-3 structure
Product Name:Pyrazine,2-butyl-3,?-dimethyl-
CAS No:72797-18-3
MF:C20H32N4
MW:328.494884490967
CID:571244
PubChem ID:118855882
Update Time:2025-04-19
Pyrazine,2-butyl-3,?-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine,2-butyl-3,?-dimethyl-
- 2-BUTYL-3,5-(AND 3,6)-DIMETHYL PYRAZINE
- 3,5
- 3,6-Dimethyl-2-isobutylpyrazine
- Pyrazine,2-butyl-3,?-dimethyl
- 2-Butyl-3,5(6)-dimethylpyrazine
- Pyrazine, 2-butyl-3,?-dimethyl-
- 72797-18-3
- 2-butyl-3,5-dimethylpyrazine compound with 3-butyl-2,5-dimethylpyrazine (1:1)
-
- Inchi： 1S/2C10H16N2/c1-4-5-6-10-9(3)12-8(2)7-11-10;1-4-5-6-10-9(3)11-7-8(2)12-10/h2*7H,4-6H2,1-3H3
- InChI Key： CULICICRMHBQLQ-UHFFFAOYSA-N
- SMILES： N1C(C)=CN=C(C)C=1CCCC.N1C=C(C)N=C(C)C=1CCCC
Computed Properties
- Exact Mass: 328.26300
- Monoisotopic Mass: 328.26269704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 250
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 51.56000
- LogP: 4.87200
Pyrazine,2-butyl-3,?-dimethyl- Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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