| CAS Number | 1609403-91-9 |
| Catalog Number | AG00J3OO |
| Chemical Name | N-(5-bromo-2-methoxybenzyl)-2-(4-methoxyphenyl)ethanamine hydrobromide |
| IUPAC Name | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide |
| InChI | InChI=1S/C17H20BrNO2.BrH/c1-20-16-6-3-13(4-7-16)9-10-19-12-14-11-15(18)5-8-17(14)21-2;/h3-8,11,19H,9-10,12H2,1-2H3;1H |
| InChI Key | WGSSDBDXQLXTOM-UHFFFAOYSA-N |
| MDL Number | MFCD13186510 |
| Molecular Formula | C17H21Br2NO2 |
| Molecular Weight | 431.1621 |
| SMILES | C1(CNCCC2=CC=C(OC)C=C2)=CC(Br)=CC=C1OC.Br |
| Synonyms | N-(5-bromo-2-methoxybenzyl)-2-(4-methoxyphenyl)ethanamine hydrobromide,
1609403-91-9,
ZX-CM015901,
MFCD13186510,
355382-22-8,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.168g/mol |
| Monoisotopic Mass | 428.994g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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