n-Nitrosodi-n-propylamine
SmallMolecule
T3DB_ID
T3D0112
描述
N-Nitrosodi-n-propylamine is a chemical produced by industry in small amounts for research. Small amounts of n-nitrosodi-n-propylamine are also produced as a side reaction during some manufacturing processes, as a contaminant in some weed killers, and during the manufacture of some rubber products. It is one ingredient of cigarette. (L216)
类别
"Cigarette Toxin", "Industrial/Workplace Toxin", "Pollutant", "Synthetic Toxin"
同义词
"2-Oxo-1,1-dipropylhydrazine", "Di-N-propylnitrosamine", "Di-N-propylnitrosoamine", "Dipropylnitrosamine", "N,N-di-N-propylnitrosamine", "N,N-dipropylnitrosamine", "N-nitroso di-N-propylamine", "N-nitroso(di-N-propyl)amine", "N-nitroso-N-dipropylamine", "N-Nitroso-N-propyl-1-propanamine", "N-nitroso-N-propylpropan-1-amine", "N-Nitrosodi-N-propylamine", "N-nitrosodi-N-propylamine", "N-nitrosodipropylamine", "Nitrosodipropylamine", "Nitrous dipropylamide"
CAS登记号
621-64-7
化学式
C6H14N2O
平均分子量
130.1882
单同位素质量
130.11061308
IUPAC 名称
nitrosodipropylamine
传统名称
N-nitrosodipropylamine
简化分子线性输入规范
CCCN(CCC)N=O
InChI 标识符
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
InChIKey=YLKFDHTUAUWZPQ-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organic nitrogen compounds
类型
Organonitrogen compounds
子类
Organic nitroso compounds
直接大类
Organic N-nitroso compounds
另外分类
"Hydrocarbon derivatives", "Organic oxides", "Organopnictogen compounds"
取代基
"Aliphatic acyclic compound", "Hydrocarbon derivative", "Organic n-nitroso compound", "Organic oxide", "Organic oxygen compound", "Organopnictogen compound"
分子框架
Aliphatic acyclic compounds
外部描述符
"nitroso compound"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Cytoplasm", "Extracellular"
生物流体位置
组织位置
途径
状态
Solid
外貌
Yellow liquid.
熔点/沸点/溶解度
/206 °C/13 mg/mL at 24 °C [MIRVISH,SS et al.(1976)]
日志P
暴露途径
Oral (L216); inhalation (L216) ; dermal (L216).
毒性机制
Reactive metabolites of n-nitrosodi-n-propylamine are believed to form adducts with DNA, resulting in carcinogenic effects. (L216)
代谢
n-Nitrosodi-n-propylamine can be absorbed through oral, inhalation, or dermal routes. It is metabolized by cytochrome p-450 enzymes (mainly CYP 2E1) into its reactive metabolites via oxidation at the alpha, beta and gamma carbon positions. Alpha carbon oxidation is regarded as the primary pathway, resulting in formation of propionaldehyde, 1-propanol, and 2-propanol. The metabolites of n-nitrosodi-n-propylamine are excreted mainly in the urine. (L216, A152)
毒性值
LD50: 480 mg/kg (Oral, Rat) (T35) LD50: 487 mg/kg (Subcutaneous, Rat) (T35)
致死剂量
致癌性
2B, possibly carcinogenic to humans. (L135)
用途/来源
Small amounts of n-nitrosodi-n-propylamine are also produced as a side reaction during some manufacturing processes, as a contaminant in some weed killers, and during the manufacture of some rubber products. (L216)
最低风险等级
Acute Oral: 0.095 mg/kg/day (L134)
健康影响
High levels of n-nitrosodi-n-propylamine may damage the liver, lung, stomach, kidneys, and heart. n-Nitrosodi-n-propylamine is also a likely carcinogen. (L216)
症状
治疗
药库 ID
HMDB_ID
PubChem 化合物 ID
12130
维基百科链接
创建于
2009-03-06 18:58:06 UTC
更新于
2014-12-24 20:21:08 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0112 n-Nitrosodi-n-propylamine DNA
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