| CAS Number | 60425-49-2 |
| Catalog Number | AG00EF1E(AGN-PC-0SW4Z2) |
| Chemical Name | (αS)-α-Aminobenzenebutanoic acid methyl ester hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-4-phenylbutanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8,12H2,1H3;1H/t10-;/m0./s1 |
| InChI Key | PZKOPSSMUBBHMM-PPHPATTJSA-N |
| MDL Number | MFCD27578263 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | COC(=O)[C@H](CCc1ccccc1)N.Cl |
| Synonyms | 60425-49-2,
(2S)-2-Amino-benzenebutanoic Acid Methyl Ester Hydrochloride,
METHYL (2S)-2-AMINO-4-PHENYLBUTANOATE HYDROCHLORIDE,
H-HoPhe-OMe?HCl,
HPheOMe hydrochloride,
(S)-methyl 2-amino-4-phenylbutanoate hydrochloride,
SCHEMBL4634588,
DTXSID00739868,
PZKOPSSMUBBHMM-PPHPATTJSA-N,
AKOS025289486,
FT-0661582,
L-Homophenylalanine Methyl Ester Hydrochloride,
(L)-homo-phenylalanine methyl ester hydrochloride,
(|AS)-|A-Amino-benzenebutanoic Acid Methyl Ester Hydrochloride,
Methyl (2S)-2-amino-4-phenylbutanoate--hydrogen chloride (1/1),
H-HoPhe-OMe.HCl,
|
| 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 | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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