| Identification | Back Directory | [Name]
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE | [CAS]
64091-91-4 | [Synonyms]
NNK
Chebi:32692
Nnk (carcinogen)
NNK 100 UG/ML IN NONANE/ETHANOL (9:1)
4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE
4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
4-(NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
4-(METHYLNITROSAMINO)-1-(3-PYRIDIYL)-1-BUTANONE
1-(3-Pyridyl)-4-(methylnitrosoamino)-1-butanone
ketone,3-pyridyl3-(n-methyl-n-nitrosamino)propyl
n-methyl-n-nitroso-4-oxo-4-(3-pyridyl)butylamine
4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanon
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
4-(N-Methylnitrosoamino)-1-(3-pyridyl)-1-butanone
4-(N-Nitrosomethylamino)-1-(3-pyridyl)butan-1-one
4-(METHYL-N-NITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
3-Pyridyl 3-(N-methyl-N-nitrosoamino)propyl ketone
4-(nitrosoamino-n-methyl)-1-(3-pyridyl)-1-butanone
4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanon
4-(N-METHYLNITROSAMINO)-1-(3-PYRIDINYL)-1-BUTANONE
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
4-(n-methyl-n-nitrosoamino)-4-(3-pyridyl)-1-butanone
4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanone
4-(N-METHYL-N-NITROSOAMINO)-1-(3-PYRIDYL)-1-BUTANONE
4-[Methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK
4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 98+%
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution
4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanone (1.0 Mg/ML in Acetonitrile)
4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone,4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK | [Molecular Formula]
C10H13N3O2 | [MDL Number]
MFCD00274580 | [MOL File]
64091-91-4.mol | [Molecular Weight]
207.23 |
| Chemical Properties | Back Directory | [Appearance]
Off-White Crystals | [Melting point ]
63-65°C | [Boiling point ]
346.25°C (rough estimate) | [density ]
1.1933 (rough estimate) | [refractive index ]
1.4830 (estimate) | [Fp ]
9℃ | [storage temp. ]
Amber Vial, -20°C Freezer | [solubility ]
DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml, | [form ]
neat | [pka]
3.19±0.10(Predicted) | [color ]
White to light yellow | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [BRN ]
3548355 | [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 | [InChIKey]
FLAQQSHRLBFIEZ-UHFFFAOYSA-N | [SMILES]
C(C1=CC=CN=C1)(=O)CCCN(C)N=O | [CAS DataBase Reference]
64091-91-4 | [IARC]
1 (Vol. Sup 7, 89, 100E) 2012 | [EPA Substance Registry System]
4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4) |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Crystals | [Uses]
This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters | [Uses]
This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. It is likely to be important in the etiology of cancers of the lung, oral cavity, and pancreas in people who use tabacco products. Readily produces cancer in rats and hamsters. Carcinogen. | [General Description]
Pale yellow crystalline solid. | [Air & Water Reactions]
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE may be sensitive to prolonged exposure to air and light. | [Reactivity Profile]
A nitrated amine and ketone. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. | [Fire Hazard]
Flash point data for 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE are not available; however, 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE is probably combustible. | [Definition]
ChEBI: 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one is a nitrosamine and a member of pyridines. | [Production Methods]
NNK is not produced commercially. NNK is formed by
oxidation and nitrosation of nicotine and is produced during
the curing, aging, processing, and smoking of tobacco. NNK
has been found in tobacco at levels up to 35 mg/kg, in snuff up
to 8.3 mg/kg, and in cigarette smoke up to 0.5 mg per cigarette
(179, 193). Common cigarette filters considerably
reduce the amount of NNK that reaches the smoker. NNK
is extracted from snuff by the saliva of users, and as much as
0.2 μg/g of saliva has been measured. Potential exposure
to NNK is widespread also among those exposed to
sidestream smoke and has been detected at 0.2–15.7 μg/
cigarette. Evidence from one comparative study of
tobacco-specific nitrosamines in cigarettes suggests that
levels of NNK (measured as a sum of all tobacco-specific
nitrosamines) are higher in non-Moldovan cigarette tobacco
and Moldovan blended cigarettes, suggesting that current
tobacco production and manufacturing technologies may
create conditions that favor N-nitrosation of alkaloids and
other tobacco constituents. | [Carcinogenicity]
4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (NNK) is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals. | [storage]
Store at -20°C |
|
| Company Name: |
Alfa Aesar
|
| Tel: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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