| CAS Number | 260981-46-2 |
| Catalog Number | AG00C49G(AGN-PC-0R1ZIQ) |
| Chemical Name | 2-Methyl-2-(4-methylpyridin-2-yl)propanenitrile |
| IUPAC Name | 2-methyl-2-(4-methylpyridin-2-yl)propanenitrile |
| InChI | InChI=1S/C10H12N2/c1-8-4-5-12-9(6-8)10(2,3)7-11/h4-6H,1-3H3 |
| InChI Key | DIUDJVQMGJPEAJ-UHFFFAOYSA-N |
| MDL Number | MFCD15143407 |
| Molecular Formula | C10H12N2 |
| Molecular Weight | 160.2157 |
| SMILES | CC1=CC(C(C#N)(C)C)=NC=C1 |
| Synonyms | 2-methyl-2-(4-methylpyridin-2-yl)propanenitrile,
260981-46-2,
SCHEMBL3936903,
DTXSID50435949,
DIUDJVQMGJPEAJ-UHFFFAOYSA-N,
MFCD15143407,
ZINC34278594,
AKOS027337839,
DB-083226,
FT-0730600,
alpha,alpha,4-Trimethylpyridine-2-acetonitrile,
CID10130100,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.22g/mol |
| Monoisotopic Mass | 160.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number