| Identification | Back Directory | [Name]
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL | [CAS]
76014-81-8 | [Synonyms]
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
alpha-(3-(methylnitrosoamino)propyl)-3-pyridinemethano
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol solution
4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanol (1.0 Mg/ML in Methanol) | [EINECS(EC#)]
200-659-6 | [Molecular Formula]
C10H15N3O2 | [MDL Number]
MFCD00870462 | [MOL File]
76014-81-8.mol | [Molecular Weight]
209.245 |
| Chemical Properties | Back Directory | [Appearance]
Oil | [Boiling point ]
348.61°C (rough estimate) | [density ]
1.1599 (rough estimate) | [refractive index ]
1.4830 (estimate) | [Fp ]
9℃ | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
neat | [pka]
13.54±0.20(Predicted) | [color ]
Pale Yellow to Yellow | [Major Application]
cleaning products
cosmetics
food and beverages
personal care | [InChI]
1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3 | [InChIKey]
OGRXKBUCZFFSTL-UHFFFAOYSA-N | [SMILES]
CN(N=O)CCCC(O)C1=CN=CC=C1 |
| Hazard Information | Back Directory | [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. |
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| Company Name: |
Sigma-Aldrich
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| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
| Company Name: |
Energy Chemical
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021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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