Denatonium Benzoate Hydrate
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- structure.search.product.name Denatonium Benzoate Hydrate
- Product Code: TRC-D231440
- CAS Number: 86398-53-0
- Brand: TRC
Product Overview
Product Code
TRC-D231440
CAS Number
Product Format
Neat
Molecular Formula
C21 H29 N2 O . C7 H5 O2 . H2 O
Molecular Weight
464.596
Product Categories
Product Information
Chemical Data
Analyte Name
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate
CAS Number
86398-53-0
Molecular Formula
C21 H29 N2 O . C7 H5 O2 . H2 O
Molecular Weight
464.596
Accurate Mass
464.268
SMILES
O.CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.[O-]C(=O)c3ccccc3
InChI
InChI=1S/C21H28N2O.C7H6O2.H2O/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);1H2
IUPAC
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;hydrate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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