| CAS Number | 886364-67-6 |
| Catalog Number | AG004A1S(AGN-PC-0WCZCH) |
| Chemical Name | ETHYL 3-(4-CHLORO-PHENYL)-2-METHYLAMINOMETHYL-PROPIONATE |
| IUPAC Name | ethyl 2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoate |
| InChI | InChI=1S/C13H18ClNO2/c1-3-17-13(16)11(9-15-2)8-10-4-6-12(14)7-5-10/h4-7,11,15H,3,8-9H2,1-2H3 |
| InChI Key | PRNOKYQJYNTYMR-UHFFFAOYSA-N |
| MDL Number | MFCD08061166 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | ClC1C=CC(=CC=1)CC(CNC)C(=O)OCC |
| Synonyms | 886364-67-6,
Ethyl 3-(4-Chloro-phenyl)-2-methylaminomethyl-propionate,
Ethyl 2-(4-chlorobenzyl)-3-(methylamino)propanoate,
ethyl 2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoate,
3-(4-chloro-phenyl)-2-methylaminomethyl-propionic acid ethyl ester,
Ethyl 2-methylaminomethyl-3-(4-chlorophenyl)propionate,
CTK5G1002,
DTXSID30661401,
CE-340,
MFCD08061166,
AS-36733,
AX8039192,
RT-012576,
A-2197,
A842753,
2-[(4-chlorophenyl)methyl]-3-(methylamino)propanoic acid ethyl ester,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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