4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
- CAS NO.:76014-81-8
- Empirical Formula: C10H15N3O2
- Molecular Weight: 209.24
- MDL number: MFCD00870462
- EINECS: 200-659-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-04 17:34:42
What is 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL?
Chemical properties
Oil
The Uses of 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine
The Uses of 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine.
What are the applications of Application
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol is a tobacco-specific nitrosamine NNK metabolite
Definition
ChEBI: 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol is a member of the class of nitrosamines that is butan-1-ol substituted by a pyridin-3-yl group at position 1 and by a methyl(nitroso)amino group at position 4. It is a major metabolite of nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), which is a carcinogen found in tobacco and responsible for inducing lung cancer in smokers. It has a role as a biomarker, a human urinary metabolite and a carcinogenic agent. It is a member of pyridines, a nitrosamine and a secondary alcohol. It is functionally related to a 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one.
General Description
This certified Snap-N-Spike? solution is suitable for use as starting material in calibrators and controls for nicotine testing, environmental monitoring, or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS. NNAL is a metabolite of NNK or 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone. Measurement of NNAL levels in urine is a reliable way to determine NNK exposure in smokers, non-smokers exposed to environmental tobacco smoke (ETS), or users of smokeless tobacco products such as chewing tobacco or snuff.
Properties of 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
Boiling point: | 348.61°C (rough estimate) |
Density | 1.1599 (rough estimate) |
refractive index | 1.4830 (estimate) |
Flash point: | 9℃ |
storage temp. | 2-8°C |
solubility | Chloroform (Slightly), Methanol (Slightly) |
pka | 13.54±0.20(Predicted) |
form | neat |
color | Pale Yellow to Yellow Thick |
Safety information for 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
Computed Descriptors for 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
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