| Identification | Back Directory | [Name]
N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID | [CAS]
61445-55-4 | [Synonyms]
NMBA
4-(methylnitrosoamino)-butyricaci
4-(N-NITROSOMETHYLAMINO)BUTYRICACID
4-(Methylnitrosoamino)butanoic acid
4-(n-nitroso-n-methylamino)butyricacid
N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID
n-methyl-n-(3-carboxypropyl)nitrosamine | [Molecular Formula]
C5H10N2O3 | [MDL Number]
MFCD00869939 | [MOL File]
61445-55-4.mol | [Molecular Weight]
146.14 |
| Chemical Properties | Back Directory | [Appearance]
Yellow Oil | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Oil | [Uses]
This N-nitrosamino acid has been isolated and identified in various types of tobacco, inlcluding snuff, chewing and pipe tobacco, cigars and cigarettes. The occurence of N-nitrosamino acids are highly correlated with levels of tobacco-specific N-nitrosamines which are known carcinogens in a wide range of animal species. | [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), rai |
| Safety Data | Back Directory | [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 |
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