| CAS Number | 1609407-61-5 |
| Catalog Number | AG00J3OP |
| Chemical Name | (3,4-dimethoxybenzyl)(2-fluorobenzyl)amine hydrobromide |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C16H18FNO2.BrH/c1-19-15-8-7-12(9-16(15)20-2)10-18-11-13-5-3-4-6-14(13)17;/h3-9,18H,10-11H2,1-2H3;1H |
| InChI Key | VIGMELVHBDUNBD-UHFFFAOYSA-N |
| MDL Number | MFCD13186476 |
| Molecular Formula | C16H19BrFNO2 |
| Molecular Weight | 356.2300 |
| SMILES | C1(OC)=CC(CNCC2=CC=CC=C2F)=CC=C1OC.Br |
| Synonyms | (3,4-dimethoxybenzyl)(2-fluorobenzyl)amine hydrobromide,
1609407-61-5,
ZX-CM015926,
MFCD13186476,
418789-49-8,
|
| Complexity | 277 |
| 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 |
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Certificate of Analysis
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