| CAS Number | 1017185-07-7 |
| Catalog Number | AG01BDN7 |
| Chemical Name | 3-amino-2-benzyl-2-methylpropanoic acid |
| IUPAC Name | 2-(aminomethyl)-2-methyl-3-phenylpropanoic acid |
| InChI | InChI=1S/C11H15NO2/c1-11(8-12,10(13)14)7-9-5-3-2-4-6-9/h2-6H,7-8,12H2,1H3,(H,13,14) |
| InChI Key | UYBTWIFVVMOWCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09894942 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CC(C(O)=O)(CC1=CC=CC=C1)CN |
| Synonyms | 3-amino-2-benzyl-2-methylpropanoic acid,
1017185-07-7,
SCHEMBL5940486,
AKOS022198965,
MCULE-2668915007,
NE52809,
Z1839480727,
|
| Complexity | 200 |
| 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 | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number