| CAS Number | 1211392-30-1 |
| Catalog Number | AG019X94 |
| Chemical Name | 2-Amino-2-benzyl-3-phenylpropanoic acid hydrobromide |
| IUPAC Name | 2-amino-2-benzyl-3-phenylpropanoic acid;hydrobromide |
| InChI | InChI=1S/C16H17NO2.BrH/c17-16(15(18)19,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12,17H2,(H,18,19);1H |
| InChI Key | PVNKCQATBJOVTJ-UHFFFAOYSA-N |
| MDL Number | MFCD13196054 |
| Molecular Formula | C16H18BrNO2 |
| Molecular Weight | 336.2236 |
| SMILES | Br.NC(C(=O)O)(CC1=CC=CC=C1)CC1=CC=CC=C1 |
| Synonyms | 2-amino-2-benzyl-3-phenylpropanoic acid hydrobromide,
1211392-30-1,
AC1Q23KQ,
CTK7I4477,
MCULE-5428925473,
NE15731,
EN300-54378,
Z818727082,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.229g/mol |
| Monoisotopic Mass | 335.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number