| CAS Number | 1609407-67-1 |
| Catalog Number | AG00J3LE(AGN-PC-0WRAX1) |
| Chemical Name | (4-bromobenzyl)(2,3-dimethoxybenzyl)amine hydrobromide |
| IUPAC Name | 1-(4-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C16H18BrNO2.BrH/c1-19-15-5-3-4-13(16(15)20-2)11-18-10-12-6-8-14(17)9-7-12;/h3-9,18H,10-11H2,1-2H3;1H |
| InChI Key | HOFRINOYBYOPQO-UHFFFAOYSA-N |
| MDL Number | MFCD13186427 |
| Molecular Formula | C16H19Br2NO2 |
| Molecular Weight | 417.1356 |
| SMILES | C1(OC)=C(C=CC=C1CNCC1=CC=C(Br)C=C1)OC.Br |
| Synonyms | (4-bromobenzyl)(2,3-dimethoxybenzyl)amine hydrobromide,
1609407-67-1,
ZX-CM015782,
MFCD13186427,
353779-16-5,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.141g/mol |
| Monoisotopic Mass | 414.978g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number