| CAS Number | 1218556-32-1 |
| Catalog Number | AG01AHOJ(AGN-PC-0WOQ9H) |
| Chemical Name | 2-(Phenylamino)butanamide |
| IUPAC Name | 2-anilinobutanamide |
| InChI | InChI=1S/C10H14N2O/c1-2-9(10(11)13)12-8-6-4-3-5-7-8/h3-7,9,12H,2H2,1H3,(H2,11,13) |
| InChI Key | FDCJXHIWLITAFB-UHFFFAOYSA-N |
| MDL Number | MFCD12817083 |
| Molecular Formula | C10H14N2O |
| Molecular Weight | 178.2310 |
| SMILES | CCC(C(N)=O)NC1=CC=CC=C1 |
| Synonyms | 2-(phenylamino)butanamide,
2-anilinobutanamide,
1218556-32-1,
SCHEMBL1531518,
MFCD12817083,
AKOS005362892,
MCULE-4370273223,
NE48367,
BS-12251,
EN300-75332,
Z1082678688,
|
| 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 | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number