| CAS Number | 557090-10-5 |
| Catalog Number | AG01B16R |
| Chemical Name | 2-Phenyl-2-[(propan-2-yl)amino]acetic acid |
| IUPAC Name | 2-phenyl-2-(propan-2-ylamino)acetic acid |
| InChI | InChI=1S/C11H15NO2/c1-8(2)12-10(11(13)14)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3,(H,13,14) |
| InChI Key | HAHRSYJUGWKYRJ-UHFFFAOYSA-N |
| MDL Number | MFCD12048366 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC(NC(C1=CC=CC=C1)C(O)=O)C |
| Synonyms | 2-phenyl-2-[(propan-2-yl)amino]acetic acid,
557090-10-5,
SCHEMBL11828228,
AKOS009941823,
MCULE-6160296505,
NE15381,
Z1795818222,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number