| CAS Number | 1179754-22-3 |
| Catalog Number | AG019YPL |
| Chemical Name | 3-methyl-4-(3-methylpiperidin-1-yl)benzonitrile |
| IUPAC Name | 3-methyl-4-(3-methylpiperidin-1-yl)benzonitrile |
| InChI | InChI=1S/C14H18N2/c1-11-4-3-7-16(10-11)14-6-5-13(9-15)8-12(14)2/h5-6,8,11H,3-4,7,10H2,1-2H3 |
| InChI Key | BRHRVBDLWATAHD-UHFFFAOYSA-N |
| MDL Number | MFCD12766900 |
| Molecular Formula | C14H18N2 |
| Molecular Weight | 214.3061 |
| SMILES | CC1CN(C2=C(C)C=C(C#N)C=C2)CCC1 |
| Synonyms | 3-methyl-4-(3-methylpiperidin-1-yl)benzonitrile,
1179754-22-3,
AKOS006035675,
MCULE-4557886693,
NE15540,
EN300-102464,
Z1374788797,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.312g/mol |
| Monoisotopic Mass | 214.147g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number