Cas no 96515-32-1 (1-Methyl-3-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)imidazolium chloride)
96515-32-1 structure
Product Name:1-Methyl-3-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)imidazolium chloride
CAS No:96515-32-1
MF:C10H14ClN5O2
MW:271.703460216522
CID:815657
Update Time:2023-08-03
1-Methyl-3-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)imidazolium chloride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazolium,1-methyl-3-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-, chloride (1:1)
- 2-methyl-1-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-5-nitroimidazole,chloride
- 3-methyl-1-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl]-1h-imidazol-3-ium chloride
- 1-Methyl-3-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)imidazolium chloride
-
- Inchi： 1S/C10H14N5O2.ClH/c1-9-11-7-10(15(16)17)14(9)6-5-13-4-3-12(2)8-13;/h3-4,7-8H,5-6H2,1-2H3;1H/q+1;/p-1
- InChI Key： RDVCAGSIGHOWGJ-UHFFFAOYSA-M
- SMILES： [Cl-].[O-][N+](C1=CN=C(C)N1CCN1C=C[N+](C)=C1)=O
Computed Properties
- Exact Mass: 271.083602
- Monoisotopic Mass: 271.083602
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 282
- 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: 72.4
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
1-Methyl-3-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)imidazolium chloride 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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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