| CAS Number | 103796-00-5 |
| Catalog Number | AG019UXI(AGN-PC-0WO9C0) |
| Chemical Name | 3-[(5-Methylpyridin-2-yl)amino]propanoic acid |
| IUPAC Name | 3-[(5-methylpyridin-2-yl)amino]propanoic acid |
| InChI | InChI=1S/C9H12N2O2/c1-7-2-3-8(11-6-7)10-5-4-9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | QKCYNVOCHOEPFM-UHFFFAOYSA-N |
| MDL Number | MFCD09877624 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CC1=CN=C(NCCC(O)=O)C=C1 |
| Synonyms | 3-[(5-methylpyridin-2-yl)amino]propanoic acid,
103796-00-5,
AC1Q2OHG,
CTK7J4343,
ZINC19472123,
AKOS000177899,
MCULE-3965306638,
NE18493,
EN300-43139,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number