| CAS Number | 1609408-88-9 |
| Catalog Number | AG00J3OY |
| Chemical Name | [2-(3-methoxyphenyl)ethyl](4-nitrobenzyl)amine hydrobromide |
| IUPAC Name | 2-(3-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrobromide |
| InChI | InChI=1S/C16H18N2O3.BrH/c1-21-16-4-2-3-13(11-16)9-10-17-12-14-5-7-15(8-6-14)18(19)20;/h2-8,11,17H,9-10,12H2,1H3;1H |
| InChI Key | ACYJWEZLZPFGGE-UHFFFAOYSA-N |
| MDL Number | MFCD13186522 |
| Molecular Formula | C16H19BrN2O3 |
| Molecular Weight | 367.2377 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)CNCCC1=CC=CC(OC)=C1.Br |
| Synonyms | [2-(3-methoxyphenyl)ethyl](4-nitrobenzyl)amine hydrobromide,
1609408-88-9,
ZX-CM015937,
MFCD13186522,
355381-67-8,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.243g/mol |
| Monoisotopic Mass | 366.058g/mol |
| Rotatable Bond Count | 6 |
| 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