| CAS Number | 61053-16-5 |
| Catalog Number | AG00IAST(AGN-PC-0NKRMT) |
| Chemical Name | 1,2-Dimethyl-1H-imidazole-4,5-dicarbonitrile |
| IUPAC Name | 1,2-dimethylimidazole-4,5-dicarbonitrile |
| InChI | InChI=1S/C7H6N4/c1-5-10-6(3-8)7(4-9)11(5)2/h1-2H3 |
| InChI Key | FLCJYTVCMWZSGR-UHFFFAOYSA-N |
| MDL Number | MFCD16495983 |
| Molecular Formula | C7H6N4 |
| Molecular Weight | 146.1493 |
| SMILES | Cc1nc(C#N)c(C#N)n1C |
| Synonyms | 1,2-Dimethyl-1H-imidazole-4,5-dicarbonitrile,
61053-16-5,
1H-Imidazole-4,5-dicarbonitrile, 1,2-dimethyl-,
SCHEMBL12849485,
CTK2E7922,
DTXSID50577393,
MFCD16495983,
ZINC73647495,
CS-0037526,
1,2-dimethylimidazole-4,5-dicarbonitrile,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.153g/mol |
| Monoisotopic Mass | 146.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number