| CAS Number | 42407-51-2 |
| Catalog Number | AG01BHRO |
| Chemical Name | N-methyl-4-phenylbutanamide |
| IUPAC Name | N-methyl-4-phenylbutanamide |
| InChI | InChI=1S/C11H15NO/c1-12-11(13)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,12,13) |
| InChI Key | WEKPKUUXSDVLAT-UHFFFAOYSA-N |
| MDL Number | MFCD03576602 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | CNC(CCCC1=CC=CC=C1)=O |
| Synonyms | N-methyl-4-phenylbutanamide,
42407-51-2,
SCHEMBL622139,
ZINC59014426,
DA-05945,
FT-0734458,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number