| CAS Number | 1955498-53-9 |
| Catalog Number | AG01B5Q1 |
| Chemical Name | 2-amino-3-[(1-phenylethyl)amino]propanoic acid dihydrochloride |
| IUPAC Name | 2-amino-3-(1-phenylethylamino)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C11H16N2O2.2ClH/c1-8(9-5-3-2-4-6-9)13-7-10(12)11(14)15;;/h2-6,8,10,13H,7,12H2,1H3,(H,14,15);2*1H |
| InChI Key | DNBPWWNNZHFJTK-UHFFFAOYSA-N |
| MDL Number | MFCD30181196 |
| Molecular Formula | C11H18Cl2N2O2 |
| Molecular Weight | 281.1788 |
| SMILES | Cl.Cl.CC(C1=CC=CC=C1)NCC(C(O)=O)N |
| Synonyms | 2-amino-3-[(1-phenylethyl)amino]propanoic acid dihydrochloride,
1955498-53-9,
Z2526439744,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.177g/mol |
| Monoisotopic Mass | 280.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number