| CAS Number | 134275-07-3 |
| Catalog Number | AG01BROX |
| Chemical Name | METHYL (2S)-2,4-DIAMINOBUTANOATE DIHYDROCHLORIDE |
| IUPAC Name | methyl 2,4-diaminobutanoate;dihydrochloride |
| InChI | InChI=1S/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H |
| InChI Key | BGFZBYKHHGUPSG-UHFFFAOYSA-N |
| MDL Number | MFCD30535842 |
| Molecular Formula | C5H14Cl2N2O2 |
| Molecular Weight | 205.0829 |
| SMILES | O=C(OC)[C@@H](N)CCN.[H]Cl.[H]Cl |
| Synonyms | methyl (2S)-2,4-diaminobutanoate dihydrochloride,
SCHEMBL6620950,
134275-07-3,
AKOS025392011,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.079g/mol |
| Monoisotopic Mass | 204.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number