| CAS Number | 70964-88-4 |
| Catalog Number | AG01ABQ4 |
| Chemical Name | N-(2-cyano-2-methylethyl)benzamide |
| IUPAC Name | N-(2-cyanopropyl)benzamide |
| InChI | InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14) |
| InChI Key | AWGRQXJTSPUZDZ-UHFFFAOYSA-N |
| MDL Number | MFCD16833885 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CC(C#N)CNC(C1=CC=CC=C1)=O |
| Synonyms | N-(2-cyano-2-methylethyl)benzamide,
70964-88-4,
SCHEMBL11250088,
AKOS011945832,
NE42970,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number