| CAS Number | 1258652-42-4 |
| Catalog Number | AG01AB6A |
| Chemical Name | methyl 3-amino-2-[(3-fluorophenyl)methyl]propanoate hydrochloride |
| IUPAC Name | methyl 2-(aminomethyl)-3-(3-fluorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H14FNO2.ClH/c1-15-11(14)9(7-13)5-8-3-2-4-10(12)6-8;/h2-4,6,9H,5,7,13H2,1H3;1H |
| InChI Key | NZYMHDXBKOLDTF-UHFFFAOYSA-N |
| MDL Number | MFCD17977088 |
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.6937 |
| SMILES | Cl.COC(C(CC1=CC(F)=CC=C1)CN)=O |
| Synonyms | methyl 3-amino-2-[(3-fluorophenyl)methyl]propanoate hydrochloride,
1258652-42-4,
AC1Q3BUQ,
MCULE-1252070157,
NE44003,
EN300-70600,
Z1263820338,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.694g/mol |
| Monoisotopic Mass | 247.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number