| CAS Number | 1609406-74-7 |
| Catalog Number | AG00J3PQ(AGN-PC-0WRAYI) |
| Chemical Name | N-(3-bromo-4-methoxybenzyl)-1-methoxy-2-propanamine hydrobromide |
| IUPAC Name | N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine;hydrobromide |
| InChI | InChI=1S/C12H18BrNO2.BrH/c1-9(8-15-2)14-7-10-4-5-12(16-3)11(13)6-10;/h4-6,9,14H,7-8H2,1-3H3;1H |
| InChI Key | YAKKKUQNYQNYIR-UHFFFAOYSA-N |
| MDL Number | MFCD13186464 |
| Molecular Formula | C12H19Br2NO2 |
| Molecular Weight | 369.0928 |
| SMILES | C1(Br)C=C(C=CC=1OC)CNC(C)COC.Br |
| Synonyms | N-(3-bromo-4-methoxybenzyl)-1-methoxy-2-propanamine hydrobromide,
1609406-74-7,
ZX-CM015971,
MFCD13186464,
352436-21-6,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.097g/mol |
| Monoisotopic Mass | 366.978g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number