| CAS Number | 1391448-08-0 |
| Catalog Number | AG001AEI(AGN-PC-0WCYO8) |
| Chemical Name | (S)-2-Amino-3-(3,5-dimethoxy-phenyl)-propionic acid, HCl |
| IUPAC Name | (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO4.ClH/c1-15-8-3-7(4-9(6-8)16-2)5-10(12)11(13)14;/h3-4,6,10H,5,12H2,1-2H3,(H,13,14);1H/t10-;/m0./s1 |
| InChI Key | ZUISSHJYZRLXRL-PPHPATTJSA-N |
| MDL Number | MFCD17926412 |
| Molecular Formula | C11H16ClNO4 |
| Molecular Weight | 261.7020 |
| SMILES | Cl.COC1=CC(OC)=CC(C[C@H](N)C(O)=O)=C1 |
| Synonyms | L-3,5-DIMETHOXYPHENYLALANINE HCL,
1391448-08-0,
(S)-2-Amino-3-(3,5-dimethoxyphenyl)propanoic acid hydrochloride,
MFCD17926412,
AS-37830,
L-3,5-Dimethoxyphenylalanine hydrochloride,
AX8266843,
X-2641,
L-Phenylalanine, 3,5-dimethoxy-, hydrochloride (1:1),
(S)-2-Amino-3-(3,5-dimethoxy-phenyl)-propionic acid, HCl,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.702g/mol |
| Monoisotopic Mass | 261.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.8A^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