| CAS Number | 1609403-54-4 |
| Catalog Number | AG00J3L5 |
| Chemical Name | (4-methoxybenzyl)(2-nitrobenzyl)amine hydrobromide |
| IUPAC Name | 1-(4-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine;hydrobromide |
| InChI | InChI=1S/C15H16N2O3.BrH/c1-20-14-8-6-12(7-9-14)10-16-11-13-4-2-3-5-15(13)17(18)19;/h2-9,16H,10-11H2,1H3;1H |
| InChI Key | ABCIQGUQGIJWIC-UHFFFAOYSA-N |
| MDL Number | MFCD13186250 |
| Molecular Formula | C15H17BrN2O3 |
| Molecular Weight | 353.2111 |
| SMILES | [N+](=O)([O-])C1=CC=CC=C1CNCC1C=CC(OC)=CC=1.Br |
| Synonyms | (4-methoxybenzyl)(2-nitrobenzyl)amine hydrobromide,
1609403-54-4,
ZX-CM015702,
MFCD13186250,
7539-30-2,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.216g/mol |
| Monoisotopic Mass | 352.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number