RefChem:1097367
4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 1-ethyl-4-(p-(p-((p-((1-ethylpyridinium-4-yl)amino)phenyl)carbamoyl)cinnamamido)anilino)-, di-p-toluenesulfonate|4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate
CAS: 20719-23-7
| Molecular Formula | C50H50N6O8S2 |
|---|---|
| Molecular Weight | 926.3132 g/mol |
| LogP | 8.49104 |
| Topological Polar Surface Area | 204.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 926.3132 |
| Monoisotopic Mass | 926.3132 |
| Heavy Atoms | 66 |
| Complexity | 2857.2864 |
Chemical Identifiers
| CAS Number | 20719-23-7 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:1097367 (CAS 20719-23-7), with molecular formula C50H50N6O8S2 and molecular weight 926.3132 g/mol. IUPAC: 4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate).
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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