| CAS Number | 2044701-99-5 |
| Catalog Number | AG01EPSM(AGN-PC-3H472P) |
| Chemical Name | 4-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]methyl]-benzoicacid2-propylhydrazide |
| IUPAC Name | (E)-3-phenyl-N-[[4-(propylaminocarbamoyl)phenyl]methyl]prop-2-enamide |
| InChI | InChI=1S/C20H23N3O2/c1-2-14-22-23-20(25)18-11-8-17(9-12-18)15-21-19(24)13-10-16-6-4-3-5-7-16/h3-13,22H,2,14-15H2,1H3,(H,21,24)(H,23,25)/b13-10+ |
| InChI Key | MHZUZIALEUTHIU-JLHYYAGUSA-N |
| Molecular Formula | C20H23N3O2 |
| Molecular Weight | 337.4155 |
| SMILES | O=C(NCC1=CC=C(C(NNCCC)=O)C=C1)/C=C/C2=CC=CC=C2 |
| Synonyms | 4-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]methyl]-benzoicacid2-propylhydrazide,
2044701-99-5,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 337.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.423g/mol |
| Monoisotopic Mass | 337.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number