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化合物简介
N'-Nitrosonornicotine (NNN) is a tobacco alkaloid known as esophageal carcinogen. NNN is the cause of esophageal and oral cavity cancer in smokers and snuff dippers. The studies showed that the carcinogenicity of (S)-NNN, the predominant enantiomer in tobacco products, may be greater than that of (R)-NNN or racemic NNN.
基本信息
CAS:80508-23-2
中文别名:
英文别名:[3H]-(+/-)-N\'-Nitrosonornicotine;nitroso-propyl-carbamic acid ethyl ester;N-Propyl-N-nitrosourethane;N-nitroso-N-n-propylurethane;3-(1-nitroso-pyrrolidin-2-yl)-pyridine;N-Propyl-N-nitrosourethan;CARBAMIC ACID,N-NITROSO-N-PROPYL-,ETHYL ESTER;N-Nitroso-N-propyl-urethan;1\'-nitroso-6\'-nor-nicotine;Nitroso-propyl-carbamidsaeure-aethylester;N-nitrosonornicotine;N-Nitroso-nornicotin;
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:
英文别名:[3H]-(+/-)-N\'-Nitrosonornicotine;nitroso-propyl-carbamic acid ethyl ester;N-Propyl-N-nitrosourethane;N-nitroso-N-n-propylurethane;3-(1-nitroso-pyrrolidin-2-yl)-pyridine;N-Propyl-N-nitrosourethan;CARBAMIC ACID,N-NITROSO-N-PROPYL-,ETHYL ESTER;N-Nitroso-N-propyl-urethan;1\'-nitroso-6\'-nor-nicotine;Nitroso-propyl-carbamidsaeure-aethylester;N-nitrosonornicotine;N-Nitroso-nornicotin;
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
物化性质
沸点:154ºC at 0.2 MM HG
熔点:43-45ºC
储存条件:-20ºC Freezer
熔点:43-45ºC
储存条件:-20ºC Freezer
安全信息
危险品运输编码:UN2811 6.1/PG 3
生产方法及用途
合成路线
-
参考文献
Journal of Agricultural and Food Chemistry, , vol. 48, # 2 p. 392 - 394
上游原料
下游产品
图谱
13C NMR : Predict
![](https://imgs.chem-site.com/ytupu/80508-23-2/1990594.png)
1H NMR : Predict
![](https://imgs.chem-site.com/ytupu/80508-23-2/1990595.png)