DEQUALINIUM ACETATE
1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diacetate
| Molecular Formula | C34H46N4O4 |
|---|---|
| Molecular Weight | 574.8 g/mol |
| Topological Polar Surface Area | 140.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.3519 |
| Heavy Atoms | 42 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 4028-98-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-] |
| InChIKey | IWYNVAJACBPVLT-UHFFFAOYSA-N |
📖 Product Overview
DEQUALINIUM ACETATE (CAS: 4028-98-2) is a chemical compound with molecular formula C34H46N4O4 and molecular weight 574.8 g/mol. Its IUPAC systematic name is 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diacetate.
IWYNVAJACBPVLT-UHFFFAOYSA-N.
SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-].
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