| CAS Number | 1221723-60-9 |
| Catalog Number | AG019XZB |
| Chemical Name | ethyl 3-amino-2-[(pyridin-3-yl)methyl]propanoate dihydrochloride |
| IUPAC Name | ethyl 2-(aminomethyl)-3-pyridin-3-ylpropanoate;dihydrochloride |
| InChI | InChI=1S/C11H16N2O2.2ClH/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9;;/h3-5,8,10H,2,6-7,12H2,1H3;2*1H |
| InChI Key | RKEBZTVRFOSNTO-UHFFFAOYSA-N |
| MDL Number | MFCD13368252 |
| Molecular Formula | C11H18Cl2N2O2 |
| Molecular Weight | 281.1788 |
| SMILES | Cl.Cl.CCOC(C(CC1=CN=CC=C1)CN)=O |
| Synonyms | ethyl 3-amino-2-(pyridin-3-ylmethyl)propanoate dihydrochloride,
1221723-60-9,
AC1Q3AAW,
CTK6F4065,
AKOS008120894,
MCULE-1972222959,
NE37949,
EN300-56472,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.177g/mol |
| Monoisotopic Mass | 280.075g/mol |
| Rotatable Bond Count | 6 |
| 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