| CAS Number | 1609396-52-2 |
| Catalog Number | AG00J3M8 |
| Chemical Name | Benzeneethanamine, N-[(4-nitrophenyl)methyl]-, hydrobromide (1:1) |
| IUPAC Name | N-[(4-nitrophenyl)methyl]-2-phenylethanamine;hydrobromide |
| InChI | InChI=1S/C15H16N2O2.BrH/c18-17(19)15-8-6-14(7-9-15)12-16-11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12H2;1H |
| InChI Key | QLHPMGDENJBDSP-UHFFFAOYSA-N |
| MDL Number | MFCD13186422 |
| Molecular Formula | C15H17BrN2O2 |
| Molecular Weight | 337.2117 |
| SMILES | C1=CC=C(C=C1)CCNCC2=CC=C(C=C2)[N+](=O)[O-].Br |
| Synonyms | N-(4-nitrobenzyl)-2-phenylethanamine hydrobromide,
1609396-52-2,
ZX-CM015775,
MFCD13186422,
355383-03-8,
|
| Complexity | 264 |
| 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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