| CAS Number | 79751-43-2 |
| Catalog Number | AG01DWOC(AGN-PC-0OIA7Y) |
| Chemical Name | Ethyl 2-amino-3-(4-methoxyphenyl)propanoate hydrochloride |
| IUPAC Name | ethyl 2-amino-3-(4-methoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO3.ClH/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9;/h4-7,11H,3,8,13H2,1-2H3;1H |
| InChI Key | FLMKCSGNZMMXDN-UHFFFAOYSA-N |
| MDL Number | MFCD31666615 |
| Molecular Formula | C12H18ClNO3 |
| Molecular Weight | 259.7292 |
| NSC Number | 47130 |
| SMILES | NC(CC1=CC=C(C=C1)OC)C(OCC)=O.[H]Cl |
| Synonyms | 6330-11-6,
DTXSID60465873,
Ethyl 2-amino-3-(4-methoxyphenyl)propanoate Hydrochloride,
NSC47130,
NSC-47130,
Ethyl O-methyltyrosinate--hydrogen chloride (1/1),
79751-43-2,
CID11436865,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.73g/mol |
| Monoisotopic Mass | 259.098g/mol |
| Rotatable Bond Count | 6 |
| 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