N-Nitroso-N-Methyl-4-Aminobutyric Acid manufacturers
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| | N-Nitroso-N-Methyl-4-Aminobutyric Acid Basic information |
| | N-Nitroso-N-Methyl-4-Aminobutyric Acid Chemical Properties |
| Melting point | >25 °C | | Boiling point | 265.74°C (rough estimate) | | density | 1.3394 (rough estimate) | | refractive index | 1.4954 (estimate) | | storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere | | solubility | Chloroform (Soluble), Dichloromethane (Slightly), Ethyl Acetate (Slightly) | | form | Solid | | pka | 4.57±0.10(Predicted) | | color | Off-White to Yellow | | Stability: | Hygroscopic | | Major Application | pharmaceutical (small molecules) | | InChI | InChI=1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9) | | InChIKey | SJLBIPLIGYWGJV-UHFFFAOYSA-N | | SMILES | C(O)(=O)CCCN(C)N=O |
| WGK Germany | WGK 2 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2 |
| | N-Nitroso-N-Methyl-4-Aminobutyric Acid Usage And Synthesis |
| Chemical Properties | Yellow Oil | | Uses | N-Nitroso-N-methyl-4-aminobutyric acid EP reference standard is intended for use only as specifically prescribed in the European Pharmacopoeia.
It is also used to prepare N-Nitrosamines spiking solution to detect the concentration of N-nitrosamines in active substances by liquid chromatography coupled with mass spectrometry according to the monograph 20542of European Pharmacopoeia. | | Definition | ChEBI: N-nitroso-N-methyl-4-aminobutyric acid is a nitrosamine that has methyl and 3-carboxypropyl substituents. It is a tobacco-derived nitrosamino acid that is a known animal and potential human carcinogen. It induces bladder transitional cell carcinomas in rats and has recently been identified as a contaminant in certain blood pressure medications. It has a role as a carcinogenic agent, a rat metabolite, a xenobiotic metabolite and a plant metabolite. It is a monocarboxylic acid and a nitrosamine. | | Synthesis | Add 5.0 g (0.05 mol) of N-methylpyrrolidone to a 250 mL four-necked flask, add 50 g of toluene and stir to dissolve clear, .
Add 0.5 g of tetrabutylammonium bromide, add aqueous sodium hydroxide solution (sodium hydroxide: 4 g (0.1 mol); water: 40 g), raise temperature to
50 , stirring reaction 28h, liquid separation, organic phase discarded, aqueous phase with hydrochloric acid to adjust pH = 1.0, filtration, filtrate collection, filter cake discarded. |
| | N-Nitroso-N-Methyl-4-Aminobutyric Acid Preparation Products And Raw materials |
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