| CAS Number | 1396962-67-6 |
| Catalog Number | AG019UNS(AGN-PC-0WOSY4) |
| Chemical Name | 2-{[(pyridin-3-yl)methyl]amino}propanoic acid dihydrochloride |
| IUPAC Name | 2-(pyridin-3-ylmethylamino)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C9H12N2O2.2ClH/c1-7(9(12)13)11-6-8-3-2-4-10-5-8;;/h2-5,7,11H,6H2,1H3,(H,12,13);2*1H |
| InChI Key | DHHBAIPCAQDYQG-UHFFFAOYSA-N |
| MDL Number | MFCD11857884 |
| Molecular Formula | C9H14Cl2N2O2 |
| Molecular Weight | 253.1257 |
| SMILES | Cl.Cl.CC(C(O)=O)NCC1=CN=CC=C1 |
| Synonyms | 2-[(pyridin-3-ylmethyl)amino]propanoic acid dihydrochloride,
1396962-67-6,
AC1Q3A6S,
SCHEMBL8439652,
CTK7I5012,
AKOS008090980,
MCULE-3524985301,
NE31244,
EN300-42240,
|
| 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 | 62.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number