| CAS Number | 32404-28-7 |
| Catalog Number | AG00C6VU(AGN-PC-0O8WV5) |
| Chemical Name | 3-Acetyl-L-tyrosine Hydrochloride |
| IUPAC Name | (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO4.ClH/c1-6(13)8-4-7(2-3-10(8)14)5-9(12)11(15)16;/h2-4,9,14H,5,12H2,1H3,(H,15,16);1H/t9-;/m0./s1 |
| InChI Key | QBIDLAFUWATILA-FVGYRXGTSA-N |
| MDL Number | MFCD09031835 |
| Molecular Formula | C11H14ClNO4 |
| Molecular Weight | 259.6862 |
| SMILES | CC(C1=C(O)C=CC(C[C@H](N)C(O)=O)=C1)=O.Cl |
| Synonyms | 32404-28-7,
(S)-3-(3-ACETYL-4-HYDROXY-PHENYL)-2-AMINO-PROPIONIC ACID HYDROCHLORIDE,
Tyrosine, 3-acetyl-, hydrochloride,
L-3-(3-acetyl-4-hydroxyphenyl)alanine hydrochloride,
SCHEMBL6758817,
3-acetyl-l-tyrosin-hydrochlorid,
CTK3F5838,
3-Acetyl-L-tyrosine Hydrochloride,
93602-64-3,
BC217185,
(2S)-3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoic acid,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.686g/mol |
| Monoisotopic Mass | 259.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number