Denatonium Benzoate
Product Specifications
CAS Number
3734-33-6
Hazard Statement
Harmful if swallowed; UN number: UN2588; Packing Group: II
Purity
>95% (HPLC)
Smiles
CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.[O-]C(=O)c3ccccc3
Molecular Formula
C21 H29 N2 O . C7 H5 O2
Molecular Weight
446.58
InChI
InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
Additionnal Information
IUPAC name: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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