| CAS Number | 138535-28-1 |
| Catalog Number | AG009DNM(AGN-PC-0O1KWZ) |
| Chemical Name | O-Allyl-L-tyrosine methyl ester HCl |
| IUPAC Name | methyl (2S)-2-amino-3-(4-prop-2-enoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C13H17NO3.ClH/c1-3-8-17-11-6-4-10(5-7-11)9-12(14)13(15)16-2;/h3-7,12H,1,8-9,14H2,2H3;1H/t12-;/m0./s1 |
| InChI Key | RNTKDRSTELCRPC-YDALLXLXSA-N |
| MDL Number | MFCD01862374 |
| Molecular Formula | C13H18ClNO3 |
| Molecular Weight | 271.7399 |
| SMILES | COC(=O)[C@H](Cc1ccc(cc1)OCC=C)N |
| Synonyms | 138535-28-1,
H-L-TYR(ALL)-OME HCL,
O-Allyl-L-tyrosine methyl ester hydrochloride,
O-ALLYL-L-TYROSINE METHYL-ESTER HYDROCHLORIDE,
O-Allyl-L-tyrosine methyl ester HCl,
CTK6I6444,
7194AH,
MFCD01862374,
AKOS025404096,
K-4483,
O -Allyl-L-tyrosine methyl ester hydrochloride,
C13H17NO3.HCl,
RNTKDRSTELCRPC-YDALLXLXSA-N,
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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 | 271.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.741g/mol |
| Monoisotopic Mass | 271.098g/mol |
| Rotatable Bond Count | 7 |
| 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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Certificate of Analysis
Lot Number