| CAS Number | 1609404-39-8 |
| Catalog Number | AG00J3M5 |
| Chemical Name | (2,3-Dimethoxybenzyl)(4-fluorobenzyl)amine hydrobromide |
| IUPAC Name | N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C16H18FNO2.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 | XSTLQYZRDPEZPC-UHFFFAOYSA-N |
| MDL Number | MFCD13186439 |
| Molecular Formula | C16H19BrFNO2 |
| Molecular Weight | 356.2300 |
| SMILES | COC1=CC=CC(=C1OC)CNCC2=CC=C(C=C2)F.Br |
| Synonyms | (2,3-dimethoxybenzyl)(4-fluorobenzyl)amine hydrobromide,
1609404-39-8,
ZX-CM015800,
MFCD13186439,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.235g/mol |
| Monoisotopic Mass | 355.058g/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