| CAS Number | 124082-17-3 |
| Catalog Number | AG019L7B(AGN-PC-0PHQLV) |
| Chemical Name | Methyl 3-amino-3-(4-methoxyphenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-(4-methoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-9)10(12)7-11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H |
| InChI Key | CAXBYAHWVBKOMQ-UHFFFAOYSA-N |
| MDL Number | MFCD13195806 |
| Molecular Formula | C11H16ClNO3 |
| Molecular Weight | 245.7026 |
| SMILES | COc1ccc(cc1)C(CC(=O)OC)N.Cl |
| Synonyms | methyl 3-amino-3-(4-methoxyphenyl)propanoate hydrochloride,
124082-17-3,
AC1Q3BXF,
SCHEMBL6692761,
CTK6J1762,
CAXBYAHWVBKOMQ-UHFFFAOYSA-N,
MCULE-8364602000,
NE55758,
EN300-30310,
Z839028512,
3-amino-3-(4-methoxyphenyl)propionic acid methyl ester hydrochloride,
methyl 3-amino-3-(4-methoxyphenyl)propanoate hcl,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.703g/mol |
| Monoisotopic Mass | 245.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number