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化合物简介
N-Nitrosonornicotine (NNN) is a tobacco-specific nitrosamine produced during the curing and processing of tobacco. It has been classified as a Group 1 carcinogen. Although no adequate studies of the relationship between exposure to NNN and human cancer have been reported, there is sufficient evidence that NNN causes cancer in experimental animals.
基本信息
CAS:16543-55-8
中文别名:N-亚硝基去甲烟碱;
英文别名:N-NITROSONORNICOTINE;Nicotine, 1‘-demethyl-1‘-nitroso-;nitrosonornicotine;NNN;
分子式:C9H11N3O
分子量:177.203
精确质量:177.09
Psa:45.56
Logp:1.8378
中文别名:N-亚硝基去甲烟碱;
英文别名:N-NITROSONORNICOTINE;Nicotine, 1‘-demethyl-1‘-nitroso-;nitrosonornicotine;NNN;
分子式:C9H11N3O
分子量:177.203
精确质量:177.09
Psa:45.56
Logp:1.8378
编号系统
UNII:X656TZ86DX
物化性质
外观与性状:白色晶体或淡黄色低熔点固体
密度:1.28g/cm3
沸点:154ºC at 0.2 MM HG
熔点:47ºC
闪点:177.3ºC
折射率:1.642
稳定性:Stable, but air and light sensitive. Incompatible with oxidizing agents.
密度:1.28g/cm3
沸点:154ºC at 0.2 MM HG
熔点:47ºC
闪点:177.3ºC
折射率:1.642
稳定性:Stable, but air and light sensitive. Incompatible with oxidizing agents.
安全信息
危险品运输编码:UN 2810
海关编码:2933990090
危险类别:6.1(b)
包装等级:III
海关编码:2933990090
危险类别:6.1(b)
包装等级:III
生产方法及用途
合成路线
-
参考文献
v. Braun; Weissbach Chemische Berichte, 1930 , vol. 63, p. 2018,2026
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict


