| CAS Number | 57261-60-6 |
| Catalog Number | AG01DST7(AGN-PC-03X7B0) |
| Chemical Name | 3,4-Dimethyl-2-pyridinecarbonitrile |
| IUPAC Name | 3,4-dimethylpyridine-2-carbonitrile |
| InChI | InChI=1S/C8H8N2/c1-6-3-4-10-8(5-9)7(6)2/h3-4H,1-2H3 |
| InChI Key | OPNUUWMXUITYNB-UHFFFAOYSA-N |
| MDL Number | MFCD13176014 |
| Molecular Formula | C8H8N2 |
| Molecular Weight | 132.1625 |
| SMILES | CC1=C(C)C(C#N)=NC=C1 |
| Synonyms | 57261-60-6,
2-PYRIDINECARBONITRILE, 3,4-DIMETHYL-,
3,4-DIMETHYL-2-PYRIDINECARBONITRILE,
3,4-dimethylpyridine-2-carbonitrile,
dimethylcyanopyridine,
SCHEMBL6170131,
CTK1E1165,
DTXSID70629540,
OPNUUWMXUITYNB-UHFFFAOYSA-N,
ZINC72231349,
AKOS034087298,
3,4-dimethylpicolinonitrile,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.166g/mol |
| Monoisotopic Mass | 132.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number