| CAS Number | 1039869-28-7 |
| Catalog Number | AG01B1P6 |
| Chemical Name | N-benzyl-2-cyano-N-ethylacetamide |
| IUPAC Name | N-benzyl-2-cyano-N-ethylacetamide |
| InChI | InChI=1S/C12H14N2O/c1-2-14(12(15)8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8,10H2,1H3 |
| InChI Key | SGJXOPRNXAHBHA-UHFFFAOYSA-N |
| MDL Number | MFCD11195405 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | CCN(C(CC#N)=O)CC1=CC=CC=C1 |
| Synonyms | N-benzyl-2-cyano-N-ethylacetamide,
1039869-28-7,
FCH074021,
ZINC20486605,
BBV-242191,
NE35816,
EN300-172775,
|
| Complexity | 248 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number