| CAS Number | 1423028-99-2 |
| Catalog Number | AG01A2F5(AGN-PC-0WOQK7) |
| Chemical Name | 3-Amino-3-(pyridin-2-yl)propanoic acid dihydrochloride |
| IUPAC Name | 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride |
| InChI | InChI=1S/C8H10N2O2.2ClH/c9-6(5-8(11)12)7-3-1-2-4-10-7;;/h1-4,6H,5,9H2,(H,11,12);2*1H |
| InChI Key | CEYSGWSRPMEIMV-UHFFFAOYSA-N |
| MDL Number | MFCD22578555 |
| Molecular Formula | C8H12Cl2N2O2 |
| Molecular Weight | 239.0991 |
| SMILES | NC(C1=CC=CC=N1)CC(O)=O.Cl.Cl |
| Synonyms | 3-amino-3-(pyridin-2-yl)propanoic acid dihydrochloride,
1423028-99-2,
(S)-3-Amino-3-(pyridin-2-yl)propanoic acid dihydrochloride,
AKOS025287276,
MCULE-8978093399,
Z1601464261,
N/A,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.096g/mol |
| Monoisotopic Mass | 238.028g/mol |
| Rotatable Bond Count | 3 |
| 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