| CAS Number | 878027-73-7 |
| Catalog Number | AG00IME4(AGN-PC-0VGV5F) |
| Chemical Name | 1H-Imidazolium, 1-butyl-3-methyl-, salt with methanetricarbonitrile (1:1) |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;2,2-dicyanoethenylideneazanide |
| InChI | InChI=1S/C8H15N2.C4N3/c1-3-4-5-10-7-6-9(2)8-10;5-1-4(2-6)3-7/h6-8H,3-5H2,1-2H3;/q+1;-1 |
| InChI Key | YUDSETQBLNHGHF-UHFFFAOYSA-N |
| MDL Number | MFCD09038877 |
| Molecular Formula | C12H15N5 |
| Molecular Weight | 229.2810 |
| SMILES | C(#N)[C-](C#N)C#N.C(CCC)[N+]1=CN(C=C1)C |
| Synonyms | (BMIM)(C(CN)3),
1-butyl-3-methylimidazolium tricyanomethanide,
1-Butyl-3-methylimidazolium tricyanomethanide,
878027-73-7,
1-butyl-3-methylim-idazolium tricyanomethanide,
B5487,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.287g/mol |
| Monoisotopic Mass | 229.133g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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