| CAS Number | 1305711-72-1 |
| Catalog Number | AG01AGIH |
| Chemical Name | methyl 3-amino-2-(4-methylphenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-2-(4-methylphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-8-3-5-9(6-4-8)10(7-12)11(13)14-2;/h3-6,10H,7,12H2,1-2H3;1H |
| InChI Key | INBQXWPMPQETIV-UHFFFAOYSA-N |
| MDL Number | MFCD18089436 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.COC(C(C1=CC=C(C)C=C1)CN)=O |
| Synonyms | methyl 3-amino-2-(4-methylphenyl)propanoate hydrochloride,
1305711-72-1,
AC1Q3BUL,
MCULE-6836562770,
NE44307,
EN300-71955,
Z1266823203,
|
| Complexity | 186 |
| 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 |
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Certificate of Analysis
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