| CAS Number | 325803-29-0 |
| Catalog Number | AG00I66F(AGN-PC-0WR08C) |
| Chemical Name | Ethyl 3-amino-3-(4-chlorophenyl)propanoate, HCl |
| IUPAC Name | ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H14ClNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H |
| InChI Key | GEFYSNMLNDGKHT-UHFFFAOYSA-N |
| MDL Number | MFCD00980051 |
| Molecular Formula | C11H15Cl2NO2 |
| Molecular Weight | 264.1483 |
| SMILES | CCOC(=O)CC(c1ccc(cc1)Cl)N.Cl |
| Synonyms | Ethyl 3-amino-3-(4-chlorophenyl)propanoate Hydrochloride,
325803-29-0,
AC1ME3LK,
BAE-0010,
ZX-BK000084,
AKOS001475879,
K-7569,
Ethyl 3-amino-3-(4-chlorophenyl)propanoate, HCl,
SR-01000209975,
SR-01000209975-1,
CID2847356,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.146g/mol |
| Monoisotopic Mass | 263.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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