Cas no 88346-47-8 (Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)-)
88346-47-8 structure
Product Name:Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)-
CAS No:88346-47-8
MF:C12H19ClN2
MW:226.745661973953
CID:636219
PubChem ID:11535934
Update Time:2025-04-19
Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)-
- 2,5-di(butan-2-yl)-3-chloropyrazine
- 88346-47-8
- DTXSID80468200
-
- Inchi： 1S/C12H19ClN2/c1-5-8(3)10-7-14-11(9(4)6-2)12(13)15-10/h7-9H,5-6H2,1-4H3
- InChI Key： MCTAFUUCPZHXMN-UHFFFAOYSA-N
- SMILES： ClC1C(C(C)CC)=NC=C(C(C)CC)N=1
Computed Properties
- Exact Mass: 226.1236763g/mol
- Monoisotopic Mass: 226.1236763g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 25.8?2
Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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