Name: Mixture of (R,S)-N-Nitroso Anabasine-d4, rac N’-Nitrosonornicotine-d4 , and 4-(Methylnitrosamino)-1
Brand: TRC
SKU: TRC-N524257-2ML

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Product Overview

Product Code

TRC-N524257-2ML

CAS Number

3 Analytes

Product Format

Mixture

Product Categories

Alkali metals, Stable isotopes, Nitrosamine Reference Materials, TRC, Nitrosamine Research and Reference Materials

Product Type

Stable Isotope Labelled, Contaminant

Alternate CAS Number

3 Analytes

Documentation

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Product Information

Chemical Data

Analyte Name

Measured Value

CAS Number

Molecular Structure

(RS)-N-Nitrosoanabasine pyridinyl-d4

CAS Number

1020719-68-9

Alternate CAS Number

37620-20-5

Unlabelled CAS Number

Molecular Formula

C10 2H4 H9 N3 O

Molecular Weight

195.25

Accurate Mass

195.131

SMILES

[2H]c1nc([2H])c(C2CCCCN2N=O)c([2H])c1[2H]

InChI

InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/i3D,4D,6D,8D

IUPAC

2,3,4,6-tetradeuterio-5-(1-nitrosopiperidin-2-yl)pyridine

N-Nitrosonornicotine 2,4,5,6 D4 (pyridine D4)

CAS Number

66148-19-4

Alternate CAS Number

Unlabelled S-isomer: 16543-55-8

Unlabelled CAS Number

80508-23-2

Molecular Formula

C9 2H4 H7 N3 O

Molecular Weight

181.23

Accurate Mass

181.1153

SMILES

[2H]c1nc([2H])c(C2CCCN2N=O)c([2H])c1[2H]

InChI

InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/i1D,3D,5D,7D

IUPAC

2,3,4,6-tetradeuterio-5-(1-nitrosopyrrolidin-2-yl)pyridine

N-Nitrosonornicotine-ketoneD4(pyridylD4)

CAS Number

764661-24-7

Alternate CAS Number

Unlabelled CAS Number

64091-91-4

Molecular Formula

C10 2H4 H9 N3 O2

Molecular Weight

211.25

Accurate Mass

211.1259

SMILES

[2H]c1nc([2H])c(C(=O)CCCN(C)N=O)c([2H])c1[2H]

InChI

InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i2D,4D,6D,8D

IUPAC

N-methyl-N-[4-oxo-4-(2,4,5,6-tetradeuteriopyridin-3-yl)butyl]nitrous amide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Transport Restrictions

Air Excepted

Product Type

Stable Isotope Labelled; Contaminant

Product Format

Mixture

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Mixture of (R,S)-N-Nitroso Anabasine-d4, rac N’-Nitrosonornicotine-d4 , and 4-(Methylnitrosamino)-1

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