| CAS Number | 712355-12-9 |
| Catalog Number | AG006A1O(AGN-PC-0TYRZP) |
| Chemical Name | 1-butyl-3-methylpyridin-1-ium; dicyanoazanide |
| IUPAC Name | 1-butyl-3-methylpyridin-1-ium;cyanoiminomethylideneazanide |
| InChI | InChI=1S/C10H16N.C2N3/c1-3-4-7-11-8-5-6-10(2)9-11;3-1-5-2-4/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1 |
| InChI Key | FYBPOFIFDAOGDM-UHFFFAOYSA-N |
| MDL Number | MFCD09038878 |
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.2822 |
| SMILES | CCCC[n+]1cccc(c1)C.N#C[N-]C#N |
| Synonyms | N-BUTYL-3-METHYLPYRIDINIUM DICYANAMIDE,
712355-12-9,
CTK2H6466,
FYBPOFIFDAOGDM-UHFFFAOYSA-N,
MFCD09038878,
N-Butyl-3-methylpyridinium dicyanamid,
3-methyl-1-butylpyridinium dicyanamide,
SC-66269,
1-Butyl-3-methylpyridinium [(cyanoimino)methylene]azanide,
CID11557575,
N-Butyl-3-methylpyridinium dicyanamide - 5G 5g,
IUPAC: 1-butyl-5-methyl-pyridine; Cyanoiminomethylideneazanide,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.288g/mol |
| Monoisotopic Mass | 216.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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