| CAS Number | 42818-27-9 |
| Catalog Number | AG01B7TK(AGN-PC-0WOQ8X) |
| Chemical Name | 2-Amino-4-(4-hydroxyphenyl)-2-methylbutanoic acid |
| IUPAC Name | 2-amino-4-(4-hydroxyphenyl)-2-methylbutanoic acid |
| InChI | InChI=1S/C11H15NO3/c1-11(12,10(14)15)7-6-8-2-4-9(13)5-3-8/h2-5,13H,6-7,12H2,1H3,(H,14,15) |
| InChI Key | HTCMWGAXVKSASC-UHFFFAOYSA-N |
| MDL Number | MFCD09942605 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CC(C(O)=O)(CCC1=CC=C(O)C=C1)N |
| Synonyms | 2-amino-4-(4-hydroxyphenyl)-2-methylbutanoic acid,
42818-27-9,
4-(4-hydroxyphenyl)isovaline,
MFCD09942605,
AKOS000186897,
AKOS022482874,
BS-12494,
Z2327040004,
2-Amino-4-(4-hydroxy-phenyl)-2-methyl-butyric acid,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number