| CAS Number | 174869-60-4 |
| Catalog Number | AG01ABJC |
| Chemical Name | Methyl 3-amino-2-(3-methylphenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-2-(3-methylphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-8-4-3-5-9(6-8)10(7-12)11(13)14-2;/h3-6,10H,7,12H2,1-2H3;1H |
| InChI Key | WNUPFLRCRFVHQC-UHFFFAOYSA-N |
| MDL Number | MFCD18089419 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.COC(C(C1=CC(C)=CC=C1)CN)=O |
| Synonyms | methyl 3-amino-2-(3-methylphenyl)propanoate hydrochloride,
174869-60-4,
AC1Q3BUK,
MCULE-1586976904,
NE50739,
EN300-71837,
Z1266823205,
methyl 3-amino-2-(3-methylphenyl)propionate hydrochloride,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 4 |
| 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