Product Code

TRC-D231440

CAS Number

86398-53-0

Product Format

Neat

Molecular Formula

C21 H29 N2 O . C7 H5 O2 . H2 O

Molecular Weight

464.596

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Price and availability

48-hour USA dispatch time

Freight restricted.

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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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Denatonium Benzoate Hydrate

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