ChemicalBook > CAS DataBase List > 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL

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

Product Name
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
CAS No.
76014-81-8
Chemical Name
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
Synonyms
NNAL;rac NNAL;α-[3-(MethylnitrosoaMino)propyl]-;4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTAN-1-OL;4-(methylnitrosoamino)-1--(3-pyridyl)-1-butanol;4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanol-d5;4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)butan-1-ol;a-[3-(Methylnitrosoamino)propyl]-3-pyridinemethanol;3-Pyridinemethanol, α-[3-(methylnitrosoamino)propyl]-;alpha-(3-(methylnitrosoamino)propyl)-3-pyridinemethano
CBNumber
CB4501459
Molecular Formula
C10H15N3O2
Formula Weight
209.24
MOL File
76014-81-8.mol
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4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL Property

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)
color 
Pale Yellow to Yellow
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Safety

Hazard Codes 
F,T
Risk Statements 
11-23/24/25-39/23/24/25
Safety Statements 
7-16-36/37-45
RIDADR 
UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany 
3
RTECS 
UT5014750
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H225Highly Flammable liquid and vapour

H370Causes damage to organs

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P311Call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
59773
Product name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
Purity
analytical standard
Packaging
10mg
Price
$488
Updated
2024/03/01
TRC
Product number
M325740
Product name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
Packaging
10mg
Price
$90
Updated
2021/12/16
TRC
Product number
M325740
Product name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
Packaging
25mg
Price
$145
Updated
2021/12/16
TRC
Product number
M325740
Product name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol
Packaging
50mg
Price
$260
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
65764
Product name
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol(1.0mg/mLinMethanol)
Packaging
1mL
Price
$610
Updated
2021/12/16
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4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL Chemical Properties,Usage,Production

Chemical Properties

Oil

Uses

A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine.

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.

4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL Preparation Products And Raw materials

Raw materials

Preparation Products

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

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76014-81-8, 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOLRelated Search:


  • 4-(methylnitrosoamino)-1--(3-pyridyl)-1-butanol
  • alpha-(3-(methylnitrosoamino)propyl)-3-pyridinemethano
  • NNAL
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTAN-1-OL
  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)butan-1-ol
  • a-[3-(Methylnitrosoamino)propyl]-3-pyridinemethanol
  • rac NNAL
  • α-[3-(MethylnitrosoaMino)propyl]-
  • 4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanol-d5
  • 4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanol (1.0 Mg/ML in Methanol)
  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol solution
  • 3-Pyridinemethanol, α-[3-(methylnitrosoamino)propyl]-
  • 76014-81-8
  • Heterocycles
  • Metabolites & Impurities
  • Nicotine Derivatives