| CAS Number | 1303889-59-9 |
| Catalog Number | AG01AB8T(AGN-PC-0WOWFY) |
| Chemical Name | 3-Amino-2-(pyridin-2-ylmethyl)propanoic acid dihydrochloride |
| IUPAC Name | 2-(aminomethyl)-3-pyridin-2-ylpropanoic acid;dihydrochloride |
| InChI | InChI=1S/C9H12N2O2.2ClH/c10-6-7(9(12)13)5-8-3-1-2-4-11-8;;/h1-4,7H,5-6,10H2,(H,12,13);2*1H |
| InChI Key | QPPYPAMEXMYCSD-UHFFFAOYSA-N |
| MDL Number | MFCD18089385 |
| Molecular Formula | C9H14Cl2N2O2 |
| Molecular Weight | 253.1257 |
| SMILES | Cl.Cl.NCC(C(O)=O)CC1=NC=CC=C1 |
| Synonyms | 3-amino-2-(pyridin-2-ylmethyl)propanoic acid dihydrochloride,
1303889-59-9,
AC1Q3ATI,
AKOS023166473,
MCULE-4796581653,
NE36202,
EN300-70802,
Z1259273372,
3-amino-2-[(pyridin-2-yl)methyl]propanoic acid dihydrochloride,
|
| Complexity | 173 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.123g/mol |
| Monoisotopic Mass | 252.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number