| CAS Number | 1046535-04-9 |
| Catalog Number | AG019KBG |
| Chemical Name | Ethyl (4-chlorophenyl)(ethylamino)acetate hydrochloride |
| IUPAC Name | ethyl 2-(4-chlorophenyl)-2-(ethylamino)acetate;hydrochloride |
| InChI | InChI=1S/C12H16ClNO2.ClH/c1-3-14-11(12(15)16-4-2)9-5-7-10(13)8-6-9;/h5-8,11,14H,3-4H2,1-2H3;1H |
| InChI Key | WXERWVLAKAIKJX-UHFFFAOYSA-N |
| MDL Number | MFCD08692035 |
| Molecular Formula | C12H17Cl2NO2 |
| Molecular Weight | 278.1749 |
| SMILES | Cl.CCNC(C1=CC=C(Cl)C=C1)C(OCC)=O |
| Synonyms | ethyl (4-chlorophenyl)(ethylamino)acetate hydrochloride,
ethyl 2-(4-chlorophenyl)-2-(ethylamino)acetate hydrochloride,
1046535-04-9,
AC1Q39TR,
CTK6F2127,
MCULE-5981575931,
EN300-26275,
Z221603920,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.173g/mol |
| Monoisotopic Mass | 277.064g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number