| CAS Number | 79757-31-6 |
| Catalog Number | AG0056AH(AGN-PC-0UF65K) |
| Chemical Name | 2-Methyl-2-pyridin-4-ylpropanenitrile |
| IUPAC Name | 2-methyl-2-pyridin-4-ylpropanenitrile |
| InChI | InChI=1S/C9H10N2/c1-9(2,7-10)8-3-5-11-6-4-8/h3-6H,1-2H3 |
| InChI Key | NUVCRWNHZFZISU-UHFFFAOYSA-N |
| MDL Number | MFCD07644551 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| SMILES | CC(C1=CC=NC=C1)(C#N)C |
| Synonyms | 79757-31-6,
2-methyl-2-(pyridin-4-yl)propanenitrile,
4-Pyridineacetonitrile,a,a-dimethyl-,
2-methyl-2-pyridin-4-ylpropanenitrile,
2-METHYL-2-(4-PYRIDYL)PROPIONITRILE,
SCHEMBL5201995,
CTK5E7079,
DTXSID60512013,
9873AE,
MFCD07644551,
SBB086503,
ZINC19722047,
2-methyl-2-(4-pyridyl)propanenitrile,
AKOS006286103,
C9H10N2,
2-METHYL-2- PROPIONITRILE,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.193g/mol |
| Monoisotopic Mass | 146.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number