| CAS Number | 1609409-01-9 |
| Catalog Number | AG00J3NQ(AGN-PC-0WB7UU) |
| Chemical Name | N-(2-Fluorobenzyl)-1-(4-methoxyphenyl)methanamine hydrobromide |
| IUPAC Name | N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C15H16FNO.BrH/c1-18-14-8-6-12(7-9-14)10-17-11-13-4-2-3-5-15(13)16;/h2-9,17H,10-11H2,1H3;1H |
| InChI Key | OKKPQQNFXRHAMJ-UHFFFAOYSA-N |
| MDL Number | MFCD13186513 |
| Molecular Formula | C15H17BrFNO |
| Molecular Weight | 326.2040 |
| SMILES | C1(=CC=CC=C1F)CNCC1C=CC(OC)=CC=1.Br |
| Synonyms | 1609409-01-9,
(2-Fluorobenzyl)(4-methoxybenzyl)amine hydrobromide,
N-(2-Fluorobenzyl)-1-(4-methoxyphenyl)methanamine hydrobromide,
ZX-CM015908,
MFCD13186513,
AKOS027426748,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.209g/mol |
| Monoisotopic Mass | 325.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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