| CAS Number | 1461706-49-9 |
| Catalog Number | AG01A5YO |
| Chemical Name | 3-(4-tert-butylphenyl)-2-cyanopropanamide |
| IUPAC Name | 3-(4-tert-butylphenyl)-2-cyanopropanamide |
| InChI | InChI=1S/C14H18N2O/c1-14(2,3)12-6-4-10(5-7-12)8-11(9-15)13(16)17/h4-7,11H,8H2,1-3H3,(H2,16,17) |
| InChI Key | WMBDJNJOEHSCPN-UHFFFAOYSA-N |
| MDL Number | MFCD25371640 |
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.3055 |
| SMILES | CC(C1=CC=C(CC(C(N)=O)C#N)C=C1)(C)C |
| Synonyms | 3-(4-tert-butylphenyl)-2-cyanopropanamide,
1461706-49-9,
NE62716,
EN300-130738,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.311g/mol |
| Monoisotopic Mass | 230.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number