| CAS Number | 1803585-90-1 |
| Catalog Number | AG01BD7F |
| Chemical Name | Methyl 3-([(3-bromophenyl)methyl]amino)propanoate hydrochloride |
| IUPAC Name | methyl 3-[(3-bromophenyl)methylamino]propanoate;hydrochloride |
| InChI | InChI=1S/C11H14BrNO2.ClH/c1-15-11(14)5-6-13-8-9-3-2-4-10(12)7-9;/h2-4,7,13H,5-6,8H2,1H3;1H |
| InChI Key | PYMCZFBWECENHC-UHFFFAOYSA-N |
| MDL Number | MFCD28012421 |
| Molecular Formula | C11H15BrClNO2 |
| Molecular Weight | 308.5993 |
| SMILES | Cl.COC(CCNCC1=CC(Br)=CC=C1)=O |
| Synonyms | methyl 3-{[(3-bromophenyl)methyl]amino}propanoate hydrochloride,
1803585-90-1,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.6g/mol |
| Monoisotopic Mass | 306.997g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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