| CAS Number | 1609403-62-4 |
| Catalog Number | AG00J3K7 |
| Chemical Name | N-(2-nitrobenzyl)-2-phenylethanamine hydrobromide |
| IUPAC Name | N-[(2-nitrophenyl)methyl]-2-phenylethanamine;hydrobromide |
| InChI | InChI=1S/C15H16N2O2.BrH/c18-17(19)15-9-5-4-8-14(15)12-16-11-10-13-6-2-1-3-7-13;/h1-9,16H,10-12H2;1H |
| InChI Key | GOLRYSYELGILMS-UHFFFAOYSA-N |
| MDL Number | MFCD13186254 |
| Molecular Formula | C15H17BrN2O2 |
| Molecular Weight | 337.2117 |
| SMILES | [N+](=O)([O-])C1=CC=CC=C1CNCCC1=CC=CC=C1.Br |
| Synonyms | N-(2-nitrobenzyl)-2-phenylethanamine hydrobromide,
1609403-62-4,
ZX-CM015706,
MFCD13186254,
418774-35-3,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.217g/mol |
| Monoisotopic Mass | 336.047g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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