| CAS Number | 1993095-42-3 |
| Catalog Number | AG00J1RF |
| Chemical Name | N~1~-(4-fluoro-3-methylphenyl)-beta-alaninamide hydrochloride |
| IUPAC Name | 3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride |
| InChI | InChI=1S/C10H13FN2O.ClH/c1-7-6-8(2-3-9(7)11)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H |
| InChI Key | CMDMRPZKICMYME-UHFFFAOYSA-N |
| MDL Number | MFCD13194005 |
| Molecular Formula | C10H14ClFN2O |
| Molecular Weight | 232.6824 |
| SMILES | C(=O)(CCN)NC1=CC=C(C(C)=C1)F.Cl |
| Synonyms | N~1~-(4-fluoro-3-methylphenyl)-beta-alaninamide hydrochloride,
1993095-42-3,
946740-10-9,
ZX-CM005908,
MFCD13194005,
N1-(4-Fluoro-3-methylphenyl)-beta-alaninamide hydrochloride,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.683g/mol |
| Monoisotopic Mass | 232.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number