| CAS Number | 1183967-62-5 |
| Catalog Number | AG01A29V |
| Chemical Name | ethyl 2-{[1-(3-bromophenyl)ethyl]amino}acetate |
| IUPAC Name | ethyl 2-[1-(3-bromophenyl)ethylamino]acetate |
| InChI | InChI=1S/C12H16BrNO2/c1-3-16-12(15)8-14-9(2)10-5-4-6-11(13)7-10/h4-7,9,14H,3,8H2,1-2H3 |
| InChI Key | CVHZHYOIAAANME-UHFFFAOYSA-N |
| MDL Number | MFCD12157326 |
| Molecular Formula | C12H16BrNO2 |
| Molecular Weight | 286.1649 |
| SMILES | CCOC(CNC(C1=CC(Br)=CC=C1)C)=O |
| Synonyms | ethyl 2-{[1-(3-bromophenyl)ethyl]amino}acetate,
1183967-62-5,
NE25892,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.169g/mol |
| Monoisotopic Mass | 285.036g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number