| CAS Number | 64619-96-1 |
| Catalog Number | AG00IBE1(AGN-PC-0TDAHB) |
| Chemical Name | alfa-Methyl-L-phenylalanine methyl ester HCl |
| IUPAC Name | methyl (2S)-2-amino-2-methyl-3-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-11(12,10(13)14-2)8-9-6-4-3-5-7-9;/h3-7H,8,12H2,1-2H3;1H/t11-;/m0./s1 |
| InChI Key | VUYGLGCVKCLWPY-MERQFXBCSA-N |
| MDL Number | MFCD06796741 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.COC(=O)[C@@](C)(N)CC1=CC=CC=C1 |
| Synonyms | (S)-2-BENZYL-ALA-OME-HCL,
64619-96-1,
(S)-Methyl 2-amino-2-methyl-3-phenylpropanoate hydrochloride,
SCHEMBL1311456,
VUYGLGCVKCLWPY-MERQFXBCSA-N,
4416AH,
KM0870,
MFCD06796741,
alfa-Methyl-L-phenylalanine methyl ester HCl,
methyl(2S)-2-amino-2-methyl-3-phenylpropanoate hydrochloride,
C11H15NO2.HCl,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number