| CAS Number | 1393442-59-5 |
| Catalog Number | AG009X4X(AGN-PC-0WA6XC) |
| Chemical Name | 2-Methyl-2-(6-methylquinolin-3-yl)propanenitrile |
| IUPAC Name | 2-methyl-2-(6-methylquinolin-3-yl)propanenitrile |
| InChI | InChI=1S/C14H14N2/c1-10-4-5-13-11(6-10)7-12(8-16-13)14(2,3)9-15/h4-8H,1-3H3 |
| InChI Key | KLDUHFNCXZSJLT-UHFFFAOYSA-N |
| MDL Number | MFCD22383775 |
| Molecular Formula | C14H14N2 |
| Molecular Weight | 210.2744 |
| SMILES | N#CC(c1cnc2c(c1)cc(cc2)C)(C)C |
| Synonyms | 2-Methyl-2-(6-methylquinolin-3-yl)propanenitrile,
1393442-59-5,
ZINC95495961,
AKOS026673201,
V2964,
C14H14N2,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.28g/mol |
| Monoisotopic Mass | 210.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number