4- CAS 64091-91-4

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M3526-82 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) CAS: 64091-91-4

Specifications

CAS Number

64091-91-4

Grade

Highly Purified

Molecular Formula

C10H13N3O2

Molecular Weight

207.23

EU Commodity Code

38220090

UN DOT Shipping

UN2811 PGII

Shipping Temp

Storage Temp

-20°C

4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; NNK

This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters.

Synonyms

4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; NNK

CAS Number

64091-91-4

Molecular Weight

207.23

Molecular Formula

C10H13N3O2

Appearance

White to off-white solid

Purity

≥98%

Method for Determining Identity

Proton NMR (CDCl3) and Mass Spectrometric Analysis

TLC Conditions

As Reported

Melting Point

64-67°C

Solubility

Chloroform (Slightly), Methanol (Slightly)

Storage and Stability

May be stored at RT for short-term only. Long-term storage is recommended at -20°C. For maximum recovery of product, centrifuge the original vial prior to removing the cap. Light sensitive