| CAS Number | 70494-48-3 |
| Catalog Number | AG00FU8Z(AGN-PC-0OGWNS) |
| Chemical Name | L-Tyrosine, 3-methoxy-O-methyl-, methyl ester, hydrochloride (1:1) |
| IUPAC Name | methyl (2S)-2-amino-3-(3,4-dimethoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO4.ClH/c1-15-10-5-4-8(7-11(10)16-2)6-9(13)12(14)17-3;/h4-5,7,9H,6,13H2,1-3H3;1H/t9-;/m0./s1 |
| InChI Key | ZAKAXTBGALLXCW-FVGYRXGTSA-N |
| MDL Number | MFCD07778593 |
| Molecular Formula | C12H18ClNO4 |
| Molecular Weight | 275.7286 |
| SMILES | O(C)c1c(OC)ccc(c1)C[C@@H](C(=O)OC)N.Cl |
| Synonyms | 70494-48-3,
(S)-Methyl 2-amino-3-(3,4-dimethoxyphenyl)propanoate hydrochloride,
(S)-3,4-DIMETHOXYPHENYLALANINE METHYL ESTER HYDROCHLORIDE,
SCHEMBL3291115,
ZAKAXTBGALLXCW-FVGYRXGTSA-N,
KS-00000LO4,
AKOS027378282,
DS-12910,
3,4-dimethoxyphenylalanine methyl ester hydrochloride,
(S)-3-(3,4-dimethoxyphenyl)1-methoxy-1-oxopropan-2-amine hydrochloride,
42381-59-9,
1,1,3-TRICHLORO ISOINDOLE,
-3,4-DIMETHOXYPHENYLALANINEMETHYLESTERHYDROCHLORIDE,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.729g/mol |
| Monoisotopic Mass | 275.092g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number