| CAS Number | 103854-26-8 |
| Catalog Number | AG00915Z(AGN-PC-0NVMGB) |
| Chemical Name | (S)-2-Amino-3-(2,6-dimethylphenyl)propanoic acid |
| IUPAC Name | (2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid |
| InChI | InChI=1S/C11H15NO2/c1-7-4-3-5-8(2)9(7)6-10(12)11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)/t10-/m0/s1 |
| InChI Key | VEQOZHOWFAVBOO-JTQLQIEISA-N |
| MDL Number | MFCD09842594 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC1=C(C[C@@H](C(O)=O)N)C(C)=CC=C1 |
| Synonyms | 2,6-Dimethyl-L-Phenylalanine,
(2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid,
103854-26-8,
L-Phenylalanine, 2,6-dimethyl-,
(S)-2-Amino-3-(2,6-dimethylphenyl)propanoic acid,
2,6-dimethylphenylalanine,
2,6-di-methylphenylalanine,
SCHEMBL38535,
CTK7D1071,
ZINC1584117,
AKOS017405217,
AJ-27524,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number