| CAS Number | 33560-89-3 |
| Catalog Number | AG01ALK6(AGN-PC-0R93Q1) |
| Chemical Name | Methyl 2-amino-3-(pyridin-4-yl)propanoate dihydrochloride |
| IUPAC Name | methyl 2-amino-3-pyridin-4-ylpropanoate;dihydrochloride |
| InChI | InChI=1S/C9H12N2O2.2ClH/c1-13-9(12)8(10)6-7-2-4-11-5-3-7;;/h2-5,8H,6,10H2,1H3;2*1H |
| InChI Key | OJOPNWQHOBRSSR-UHFFFAOYSA-N |
| MDL Number | MFCD28954390 |
| Molecular Formula | C9H14Cl2N2O2 |
| Molecular Weight | 253.1257 |
| SMILES | Cl.Cl.COC(C(CC1=CC=NC=C1)N)=O |
| Synonyms | methyl 2-amino-3-(pyridin-4-yl)propanoate dihydrochloride,
33560-89-3,
SCHEMBL5494193,
Z2197092950,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.123g/mol |
| Monoisotopic Mass | 252.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number