| CAS Number | 1609407-13-7 |
| Catalog Number | AG00J3J7(AGN-PC-0WRAW8) |
| Chemical Name | (2-methoxybenzyl)(4-nitrobenzyl)amine hydrobromide |
| IUPAC Name | N-[(2-methoxyphenyl)methyl]-1-(4-nitrophenyl)methanamine;hydrobromide |
| InChI | InChI=1S/C15H16N2O3.BrH/c1-20-15-5-3-2-4-13(15)11-16-10-12-6-8-14(9-7-12)17(18)19;/h2-9,16H,10-11H2,1H3;1H |
| InChI Key | IGZVROLTSQZBRR-UHFFFAOYSA-N |
| MDL Number | MFCD13186375 |
| Molecular Formula | C15H17BrN2O3 |
| Molecular Weight | 353.2111 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)CNCC1=CC=CC=C1OC.Br |
| Synonyms | (2-methoxybenzyl)(4-nitrobenzyl)amine hydrobromide,
1609407-13-7,
ZX-CM015632,
MFCD13186375,
353773-31-6,
|
| 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