| CAS Number | 1258651-97-6 |
| Catalog Number | AG01AB8H |
| Chemical Name | methyl 3-amino-2-[(4-methylphenyl)methyl]propanoate hydrochloride |
| IUPAC Name | methyl 2-(aminomethyl)-3-(4-methylphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-9-3-5-10(6-4-9)7-11(8-13)12(14)15-2;/h3-6,11H,7-8,13H2,1-2H3;1H |
| InChI Key | LQBZCEFPWPHOFV-UHFFFAOYSA-N |
| MDL Number | MFCD17977114 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.COC(C(CC1=CC=C(C)C=C1)CN)=O |
| Synonyms | methyl 3-amino-2-[(4-methylphenyl)methyl]propanoate hydrochloride,
1258651-97-6,
EN300-70785,
AC1Q3BUR,
MCULE-5108823908,
NE50987,
Z1263820339,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/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