| CAS Number | 91565-90-1 |
| Catalog Number | AG01AJAL(AGN-PC-0010P8) |
| Chemical Name | N-(1-cyano-2-methylpropyl)benzamide |
| IUPAC Name | N-(1-cyano-2-methylpropyl)benzamide |
| InChI | InChI=1S/C12H14N2O/c1-9(2)11(8-13)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,1-2H3,(H,14,15) |
| InChI Key | BCPSDCCYHIOIDU-UHFFFAOYSA-N |
| MDL Number | MFCD19348910 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | CC(C(C#N)NC(C1=CC=CC=C1)=O)C |
| Synonyms | N-(1-cyano-2-methylpropyl)benzamide,
91565-90-1,
EN300-80209,
Benzamide, N-(1-cyano-2-methylpropyl)-,
STL451648,
AKOS013245611,
MCULE-3843068694,
NE38865,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number