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Product Overview

Product Code

TRC-A601775

CAS Number

1020718-93-7

Product Format

Neat

Molecular Formula

C12 2H9 H2 N

Molecular Weight

178.28

Product Categories

TRC, Reference Materials for Smoking-Related Substances , Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

2243-47-2

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

3-Aminobiphenyl-d9

CAS Number

1020718-93-7

Molecular Formula

C12 2H9 H2 N

Molecular Weight

178.28

Accurate Mass

178.1456

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c([2H])c([2H])c([2H])c(N)c2[2H]

InChI

InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D

IUPAC

2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)aniline

Unlabelled CAS Number

2243-47-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)

Product Description

Product of smoking tobacco

References: Benigni, R., et al.: Env. Mol. Mutagen., 48, 754 (2007), Shin, H., et al.: Food Chem. Toxicol., 47, 192 (2009),

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