| CAS Number | 1786218-27-6 |
| Catalog Number | AG01BGE5 |
| Chemical Name | 2-amino-3-(benzylamino)propanoic acid dihydrochloride |
| IUPAC Name | 2-amino-3-(benzylamino)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C10H14N2O2.2ClH/c11-9(10(13)14)7-12-6-8-4-2-1-3-5-8;;/h1-5,9,12H,6-7,11H2,(H,13,14);2*1H |
| InChI Key | MKCPADYUMJNPIP-UHFFFAOYSA-N |
| MDL Number | MFCD28125103 |
| Molecular Formula | C10H16Cl2N2O2 |
| Molecular Weight | 267.1522 |
| SMILES | Cl.Cl.NC(C(O)=O)CNCC1=CC=CC=C1 |
| Synonyms | 2-amino-3-(benzylamino)propanoic acid dihydrochloride,
1786218-27-6,
Z1945696031,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.15g/mol |
| Monoisotopic Mass | 266.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number