| CAS Number | 91013-37-5 |
| Catalog Number | AG00IMM3(AGN-PC-0WG34R) |
| Chemical Name | 2-Amino-3-(4-Hydroxy-3-Methoxyphenyl)Propanoic Acid Hydrochloride |
| IUPAC Name | 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO4.ClH/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14;/h2-3,5,7,12H,4,11H2,1H3,(H,13,14);1H |
| InChI Key | UNETXNZYVGKTSS-UHFFFAOYSA-N |
| MDL Number | MFCD00193655 |
| Molecular Formula | C10H14ClNO4 |
| Molecular Weight | 247.6755 |
| SMILES | COc1cc(ccc1O)CC(C(=O)O)N.Cl |
| Synonyms | 91013-37-5,
2-Amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid hydrochloride,
2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propionic acid hydrochloride,
(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid hydrochloride,
63302-24-9,
HT726,
3-O-Methyldopa hydrochloride, DL-,
KS-00000OO7,
Tyrosine, 3-methoxy-, hydrochloride,
AKOS022179174,
AK-48684,
7636-26-2 2-Amino-3-(4-hydroxy-3-methoxy-phenyl)-propionic acid hydrochloride,
UNII-8E0B93CGAB,
8E0B93CGAB,
3-Methoxytyrosine hydrochloride (1:1),
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.675g/mol |
| Monoisotopic Mass | 247.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number