| CAS Number | 1147192-77-5 |
| Catalog Number | AG00J209(AGN-PC-0WB6P3) |
| Chemical Name | N~1~-(5-Fluoro-2-methylphenyl)-beta-alaninamide hydrochloride |
| IUPAC Name | 3-amino-N-(5-fluoro-2-methylphenyl)propanamide;hydrochloride |
| InChI | InChI=1S/C10H13FN2O.ClH/c1-7-2-3-8(11)6-9(7)13-10(14)4-5-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H |
| InChI Key | JOWAHVHGOLUWCU-UHFFFAOYSA-N |
| MDL Number | MFCD18434575 |
| Molecular Formula | C10H14ClFN2O |
| Molecular Weight | 232.6824 |
| SMILES | C1(C(C)=CC=C(F)C=1)NC(=O)CCN.Cl |
| Synonyms | 1147192-77-5,
3-Amino-N-(5-fluoro-2-methylphenyl)propanamide hydrochloride,
N~1~-(5-Fluoro-2-methylphenyl)-beta-alaninamide hydrochloride,
ZX-CM007350,
MFCD18434575,
AKOS000100003,
MCULE-8944713765,
BB 0243021,
N1-(5-Fluoro-2-methylphenyl)-beta-alaninamide hydrochloride,
3-Amino-N-(5-fluoro-2-methyl-phenyl)-propio namide; 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
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