| CAS Number | 1609408-95-8 |
| Catalog Number | AG00J3L2(AGN-PC-0WRAWW) |
| Chemical Name | N-(4-methoxybenzyl)-1-(3-methoxyphenyl)methanamine hydrobromide |
| IUPAC Name | 1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C16H19NO2.BrH/c1-18-15-8-6-13(7-9-15)11-17-12-14-4-3-5-16(10-14)19-2;/h3-10,17H,11-12H2,1-2H3;1H |
| InChI Key | RUJKAXWQJBNCFL-UHFFFAOYSA-N |
| MDL Number | MFCD26959381 |
| Molecular Formula | C16H20BrNO2 |
| Molecular Weight | 338.2395 |
| SMILES | N(CC1=CC=CC(OC)=C1)CC1C=CC(OC)=CC=1.Br |
| Synonyms | N-(4-methoxybenzyl)-1-(3-methoxyphenyl)methanamine hydrobromide,
1609408-95-8,
ZX-CM015681,
MFCD26959381,
AKOS030631357,
N-(3-Methoxybenzyl)-1-(4-methoxyphenyl)methanamine hydrobromide,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.245g/mol |
| Monoisotopic Mass | 337.068g/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