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HomeProduct name list4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL

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
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL Structural

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)
ghs
Flame
Flammables
GHS02
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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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