| CAS Number | 178665-35-5 |
| Catalog Number | AG00HZWB(AGN-PC-0QBE34) |
| Chemical Name | D-Beta-homophenylalanine methyl ester, HCl |
| IUPAC Name | methyl (3R)-3-amino-4-phenylbutanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m1./s1 |
| InChI Key | AQIIBDWIBUUNCO-HNCPQSOCSA-N |
| MDL Number | MFCD27578448 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | O=C(OC)C[C@H](N)CC1=CC=CC=C1.[H]Cl |
| Synonyms | 178665-35-5,
(R)-Methyl 3-amino-4-phenylbutanoate hydrochloride,
D-Beta-homophenylalanine methyl ester, HCl,
Benzenebutanoic acid, b-amino-, methyl ester, hydrochloride, (bR)-,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.086957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.7g/mol |
| Monoisotopic Mass | 229.086957g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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