| CAS Number | 1307991-87-2 |
| Catalog Number | AG019YDQ |
| Chemical Name | (3S)-3-Amino-3-(3-chlorophenyl)propanamide |
| IUPAC Name | (3S)-3-amino-3-(3-chlorophenyl)propanamide |
| InChI | InChI=1S/C9H11ClN2O/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H2,12,13)/t8-/m0/s1 |
| InChI Key | RTPKAWXRWXENEJ-QMMMGPOBSA-N |
| MDL Number | MFCD12797269 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | O=C(N)C[C@H](N)C1=CC=CC(Cl)=C1 |
| Synonyms | (3S)-3-amino-3-(3-chlorophenyl)propanamide,
1307991-87-2,
ZINC20578071,
AKOS030715317,
MCULE-9471723979,
Z1696289968,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number