| CAS Number | 666823-18-3 |
| Catalog Number | AG00IMHJ(AGN-PC-0TLNRM) |
| Chemical Name | 1H-Imidazolium, 1-ethyl-3-methyl-, salt with methanetricarbonitrile (1:1) |
| IUPAC Name | 2,2-dicyanoethenylideneazanide;1-ethyl-3-methylimidazol-3-ium |
| InChI | InChI=1S/C6H11N2.C4N3/c1-3-8-5-4-7(2)6-8;5-1-4(2-6)3-7/h4-6H,3H2,1-2H3;/q+1;-1 |
| InChI Key | SCAQVLGGENTPGK-UHFFFAOYSA-N |
| MDL Number | MFCD22460460 |
| Molecular Formula | C10H11N5 |
| Molecular Weight | 201.2278 |
| SMILES | N#C[C-](C#N)C#N.CCN1C=C[N+](C)=C1 |
| Synonyms | 1-ethyl-3-methylimidazolium tricyanomethanide,
666823-18-3,
SCHEMBL411106,
E1298,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.233g/mol |
| Monoisotopic Mass | 201.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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