| CAS Number | 72747-20-7 |
| Catalog Number | AG005FHE(AGN-PC-0WD0V8) |
| Chemical Name | (S)-Methyl 2-amino-3-(3-methoxyphenyl)propanoate hydrochloride |
| IUPAC Name | methyl (2S)-2-amino-3-(3-methoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO3.ClH/c1-14-9-5-3-4-8(6-9)7-10(12)11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H/t10-;/m0./s1 |
| InChI Key | FECZUOHUAFORHP-PPHPATTJSA-N |
| MDL Number | MFCD12911140 |
| Molecular Formula | C11H16ClNO3 |
| Molecular Weight | 245.7026 |
| SMILES | Cl[H].COC(=O)[C@@H](N)CC1=CC=CC(OC)=C1 |
| Synonyms | 72747-20-7,
(S)-Methyl 2-amino-3-(3-methoxyphenyl)propanoate hydrochloride,
L-m-methoxyphenylalanine methyl ester hydrochloride,
CTK8C4032,
DTXSID40743888,
1286AC,
ANW-70973,
MFCD12911140,
AKOS016008224,
DS-4400,
AX8239017,
TC-159718,
Methyl 3-methoxy-L-phenylalaninate--hydrogen chloride (1/1),
C11H16ClNO3,
(S)-Methyl2-amino-3-(3-methoxyphenyl)propanoatehydrochloride,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.703g/mol |
| Monoisotopic Mass | 245.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number