uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313125B1
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IDENTITY
结构与身份
- 标准SMILES
- NN=O
- InChIKey
- XKLJHFLUAHKGGU-UHFFFAOYSA-N
- 分子式
- H2N2O
- 平均分子量
- 46.029 g/mol
- 单同位素质量
- 46.01671269
COMPUTED
结构计算性质
- XLogP
- -0.6
- 极性表面积
- 55.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 3
- 形式电荷
- 0
- 复杂度
- 10
HAZARDS
危害信息
Hazards Summary
The acute toxicity of the dialkylnitrosamines decreases with increasing chain length. [ACGIH] Appreciation of the carcinogenicity of the nitrosamines has led to their characterization in many occupational and environmental circumstances. N-nitrosodimethylamine (NDMA) has caused fatal hepatic necrosis after acute exposure and liver cirrhosis after chronic exposure. [LaDou, p. 507-8]
Reactive Group
Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Alerts
Strong Oxidizing Agent
Reactivity Profile
Nitrated organics, such as NITROSAMINES, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction.
Air and Water Reactions
No rapid reaction with air. No rapid reaction with water.
TOXICITY
毒理信息
Adverse Effects
Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
USES
用途与制造
Uses
Nitrosamines are produced in foundry, tanning, and rubber manufacturing processes. Nitrosamines are carcinogens in experimental animals. [Hawley] Sources of exposure include cigarette smoking, cured or smoked meat and fish, metalworking fluids, rubber vulcanization, leather tanning, and endogenous nitrosation of drugs in the stomach. [Rom, p. 1229-31]
Metal Preparation and Pouring [Category: Foundry]；Metal Machining [Category: Heat or Machine]；Leather Tanning and Processing [Category: Industry]
Smoking cigarettes [Category: Food & Drugs]
ALIASES
名称与别名
Nitrosaminenitrous amideNitrosamide35576-91-1N-NITROSAMINELGB75A6POHNSC-223080DTXSID2074037NSC223080RefChem:166119DTXCID6039053CHEBI:35803hydroxydiazeneHYDROXYDIIMIDENITROXYLAMIDEketohydrazineHydroxydiiminediazene-N-oxideNSC 223080UNII-LGB75A6POH
REACTIONS
