| CAS Number | 130008-09-2 |
| Catalog Number | AG01EHU3(AGN-PC-0O0XD3) |
| Chemical Name | methyl (2R)-2-(methylamino)-3-phenylpropanoate hydrochloride |
| IUPAC Name | methyl (2R)-2-(methylamino)-3-phenylpropanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-12-10(11(13)14-2)8-9-6-4-3-5-7-9;/h3-7,10,12H,8H2,1-2H3;1H/t10-;/m1./s1 |
| InChI Key | ZIFGLAQTUGRAAB-HNCPQSOCSA-N |
| MDL Number | MFCD04973245 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CN[C@@H](C(OC)=O)CC1=CC=CC=C1 |
| Synonyms | AK-88953,
SCHEMBL8724387,
KS-00000GTJ,
ZIFGLAQTUGRAAB-HNCPQSOCSA-N,
130008-09-2,
N-methyl-D-phenylalanine methyl ester hydrochloride,
N-methyl-(D)-phenylalanine methyl ester hydrochloride,
N-Me-Phe-OMe HCl,
19460-86-7,
|
| Complexity | 176 |
| 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 | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number