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
- Molecular Weight:
- 209.24
- MDL Number:
- MFCD00870462
- MOL File:
- 76014-81-8.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 | liquid |
| 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 |
| FDA UNII | EN7PIX794W |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
|---|---|
| Signal word | Danger |
| Hazard statements | H225-H301+H311+H331-H370 |
| Precautionary statements | P210-P260-P280-P301+P310-P311 |
| PPE | Eyeshields, Gloves, type N95 (US) |
| 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 |
| Storage Class | 11 - Combustible Solids |
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol price More Price(23)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 59773 | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol analytical standard | 76014-81-8 | 10mg | $541 | 2026-04-30 | Buy |
| Usbiological | M3526-77 | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) ≥98% | 76014-81-8 | 10mg | $410 | 2026-06-03 | Buy |
| Usbiological | M3526-77 | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) ≥98% | 76014-81-8 | 25mg | $573 | 2026-06-03 | Buy |
| Usbiological | M3526-77 | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) ≥98% | 76014-81-8 | 50mg | $864 | 2026-06-03 | Buy |
| TRC | TRC-KIT0565-1X1ML | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol (1 mg/mL in Methanol) | 76014-81-8 | 1x1ml | $876 | 2026-06-03 | Buy |
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol Chemical Properties,Uses,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
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Chemsky（shanghai）International Co.,Ltd. | 021-50135380 | shchemsky@sina.com | China | 32273 | 50 |
| Sigma-Aldrich | 021-61415566 800-8193336 | orderCN@merckgroup.com | China | 51389 | 80 |
| Shenzhen Polymeri Biochemical Technology Co., Ltd. | +86-400-002-6226 | sales@rrkchem.com | China | 57336 | 58 |
| BOC Sciences | 16314854226; +8616314854226 | inquiry@bocsci.com | United States | 19852 | 58 |
| Energy Chemical | 021-58432009 400-005-6266 | marketing@energy-chemical.com | China | 44871 | 58 |
| TCI (Shanghai) Chemical Trading Co., Ltd. | 021-61109150 | sales@tcisct.com | China | 29717 | 58 |
| LGC Science (Shanghai) Ltd. | 17717235263 | offer.de@lgcgroup.com | China | 19036 | 58 |
| Shanghai Haohong Scientific Co., Ltd. | 400-8210725 4008210725 | malulu@leyan.com | China | 39718 | 58 |
| CHINA ISOTOPE CO., LIMITED | 02151600108 13062666369 | info@isotopechem.com | China | 4721 | 58 |
