| CAS Number | 15188-49-5 |
| Catalog Number | AG01AMWC |
| Chemical Name | N-{1-cyano-1-[(3,4-dimethoxyphenyl)methyl]ethyl}acetamide |
| IUPAC Name | N-[2-cyano-1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide |
| InChI | InChI=1S/C14H18N2O3/c1-10(17)16-14(2,9-15)8-11-5-6-12(18-3)13(7-11)19-4/h5-7H,8H2,1-4H3,(H,16,17) |
| InChI Key | URPVWERXQVTSTE-UHFFFAOYSA-N |
| MDL Number | MFCD29034049 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | COC1=C(OC)C=C(CC(C#N)(NC(C)=O)C)C=C1 |
| Synonyms | N-{1-CYANO-1-[(3,4-DIMETHOXYPHENYL)METHYL]ETHYL}ACETAMIDE,
15188-49-5,
EN300-225309,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number