Denatonium
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
| Molecular Formula | C21H29N2O+ |
|---|---|
| Molecular Weight | 325.5 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.228 |
| Heavy Atoms | 24 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 47324-98-1 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C |
| InChIKey | ZFQMTVNLDNXRNQ-UHFFFAOYSA-O |
📖 Product Overview
Denatonium (CAS: 47324-98-1) is a chemical compound with molecular formula C21H29N2O+ and molecular weight 325.5 g/mol. Its IUPAC systematic name is benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium.
ZFQMTVNLDNXRNQ-UHFFFAOYSA-O.
SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.
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