| CAS Number | 170449-35-1 |
| Catalog Number | AG01B1NO |
| Chemical Name | 2-cyano-N-(1-phenylpropyl)acetamide |
| IUPAC Name | 2-cyano-N-(1-phenylpropyl)acetamide |
| InChI | InChI=1S/C12H14N2O/c1-2-11(14-12(15)8-9-13)10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3,(H,14,15) |
| InChI Key | VJULKDZVDNRCIQ-UHFFFAOYSA-N |
| MDL Number | MFCD07164350 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | CCC(C1=CC=CC=C1)NC(CC#N)=O |
| Synonyms | 2-cyano-N-(1-phenylpropyl)acetamide,
170449-35-1,
SCHEMBL6217606,
AKOS011588005,
NE35050,
EN300-172634,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number