| CAS Number | 847154-74-9 |
| Catalog Number | AG01DQB7 |
| Chemical Name | 4,5,6-Trimethylnicotinonitrile |
| IUPAC Name | 4,5,6-trimethylpyridine-3-carbonitrile |
| InChI | InChI=1S/C9H10N2/c1-6-7(2)9(4-10)5-11-8(6)3/h5H,1-3H3 |
| InChI Key | VHNLITDNJNIXMD-UHFFFAOYSA-N |
| MDL Number | MFCD26381824 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| SMILES | CC1=C(C(=NC=C1C#N)C)C |
| Synonyms | 4,5,6-trimethylpyridine-3-carbonitrile,
847154-74-9,
SCHEMBL19009020,
ZINC95533163,
AKOS016052599,
F8886-3970,
4,5,6-trimethylnicotinonitrile,
4,5,6-Trimethyl-nicotinonitrile,
ACN-036970,
|
| Complexity | 179 |
| 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 | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number