| CAS Number | 111961-65-0 |
| Catalog Number | AG01DYFE |
| Chemical Name | 3-amino-N-phenylbutanamide |
| IUPAC Name | 3-amino-N-phenylbutanamide |
| InChI | InChI=1S/C10H14N2O/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13) |
| InChI Key | JZZMNRPDRVJKBO-UHFFFAOYSA-N |
| MDL Number | MFCD12160005 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CC(CC(NC1=CC=CC=C1)=O)N |
| Synonyms | 3-amino-N-phenylbutanamide,
111961-65-0,
SCHEMBL9810823,
AKOS010055181,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.235g/mol |
| Monoisotopic Mass | 178.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number