| CAS Number | 1609409-42-8 |
| Catalog Number | AG00J3KB(AGN-PC-0WRAWK) |
| Chemical Name | (2,3-dimethoxybenzyl)(4-methoxybenzyl)amine hydrobromide |
| IUPAC Name | N-[(2,3-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C17H21NO3.BrH/c1-19-15-9-7-13(8-10-15)11-18-12-14-5-4-6-16(20-2)17(14)21-3;/h4-10,18H,11-12H2,1-3H3;1H |
| InChI Key | GBUASOCDARUUKR-UHFFFAOYSA-N |
| MDL Number | MFCD13186376 |
| Molecular Formula | C17H22BrNO3 |
| Molecular Weight | 368.2655 |
| SMILES | C1(OC)=C(C=CC=C1CNCC1=CC=C(OC)C=C1)OC.Br |
| Synonyms | (2,3-dimethoxybenzyl)(4-methoxybenzyl)amine hydrobromide,
1609409-42-8,
ZX-CM015633,
MFCD13186376,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.271g/mol |
| Monoisotopic Mass | 367.078g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 39.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number