| CAS Number | 80589-50-0 |
| Catalog Number | AG019M4J(AGN-PC-0UHBYL) |
| Chemical Name | Ethyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride |
| IUPAC Name | ethyl 2-amino-2-(4-chlorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7;/h3-6,9H,2,12H2,1H3;1H |
| InChI Key | LRTVYMMSQHSIIN-UHFFFAOYSA-N |
| MDL Number | MFCD16155204 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.CCOC(C(C1=CC=C(Cl)C=C1)N)=O |
| Synonyms | 80589-50-0,
ethyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride,
Ethyl 2-amino-2-(4-chlorophenyl)acetate HCl,
(R)-Ethyl 2-amino-2-(4-chlorophenyl)acetate hydrochloride,
1958125-90-0,
(S)-Amino-(4-chloro-phenyl)-acetic acid ethyl ester HCl,
MFCD09289493,
AKOS026740886,
MCULE-5107854755,
Ethyl alpha-Amino-4-chloro-benzeneacetate HCl,
Z221603864,
Benzeneacetic acid, alpha-amino-4-chloro-, ethyl esteR, (R)- HCl,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.119g/mol |
| Monoisotopic Mass | 249.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number