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Product Overview

Product Code

CDN-D-7811

Product Format

Neat

Molecular Formula

C21 D5 H24 N2 O . C7 H5 O2

Molecular Weight

451.612

Product Categories

Stable Isotope Labelled Analytical Standards, Stable isotopes, Stable isotopes, Nitrogen compounds, Stable isotopes, CDN

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

3734-33-6

Purity

98 atom % D, min 98% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Denatonium-D5 (benzyl-2,3,4,5,6-D5) Benzoate

Molecular Formula

C21 D5 H24 N2 O . C7 H5 O2

Molecular Weight

451.612

Accurate Mass

451.2883

SMILES

[2H]c1c([2H])c([2H])c(C[N+](CC)(CC)CC(=O)Nc2c(C)cccc2C)c([2H])c1[2H].[O-]C(=O)c3ccccc3

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)/i7D,8D,9D,13D,14D;

IUPAC

[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-[(2,3,4,5,6-pentadeuteriophenyl)methyl]azanium;benzoate

Unlabelled CAS Number

3734-33-6

SIL Type

Deuterium

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 98% Chemical Purity

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Product Overview

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Analyte Data

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Denatonium-d5 Benzoate (benzyl-2,3,4,5,6-d5)

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