| CAS Number | 1956319-58-6 |
| Catalog Number | AG00I3EW(AGN-PC-0WNGM2) |
| Chemical Name | Ethyl 2-amino-2-(3-chloropyridin-4-yl)acetate hydrochloride |
| IUPAC Name | ethyl 2-amino-2-(3-chloropyridin-4-yl)acetate;hydrochloride |
| InChI | InChI=1S/C9H11ClN2O2.ClH/c1-2-14-9(13)8(11)6-3-4-12-5-7(6)10;/h3-5,8H,2,11H2,1H3;1H |
| InChI Key | DEUOKLCMASNIHH-UHFFFAOYSA-N |
| MDL Number | MFCD30186146 |
| Molecular Formula | C9H12Cl2N2O2 |
| Molecular Weight | 251.1098 |
| SMILES | O=C(OCC)C(N)C1=C(Cl)C=NC=C1.[H]Cl |
| Synonyms | Ethyl 2-amino-2-(3-chloropyridin-4-yl)acetate hydrochloride,
1956319-58-6,
AK501387,
KS-00000M9H,
DS-18997,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.027583g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.11g/mol |
| Monoisotopic Mass | 250.027583g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number