N-亚硝基新烟草碱(NAT) | 887407-16-1

• 物质功能分类: 分析化学 - 标准品 - 食品和饮料标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: N-亚硝基新烟草碱(NAT)
• 英文名称: N-Nitrosoanatabine
• 英文别名: 3-(1-nitroso-3,6-dihydro-2H-pyridin-2-yl)pyridine
• CAS: 887407-16-1
• 化学式: C₁₀H₁₁N₃O
• mdl: MFCD01632691
• 分子量: 189.21
• InChiKey: ZJOFAFWTOKDIFH-UHFFFAOYSA-N

物化性质

• 沸点：
  367.8±42.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)
• 溶解度：
  氯仿：微溶；乙酸乙酯：微溶
• 保留指数：
  1808

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

毒理性

• 致癌物分类

国际癌症研究机构致癌物：N'-硝基安那巴碱

IARC Carcinogenic Agent:N'-Nitrosoanatabine

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：无法归类其对人类致癌性

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构专著：第37卷：(1985) 除吸烟外的烟草习惯；槟榔果和槟榔子咀嚼；以及一些相关的亚硝胺 增补第7卷：致癌性的整体评估：对国际癌症研究机构专著第1至42卷的更新，1987年；440页；ISBN 92-832-1411-0（已绝版） 第89卷：(2007) 无烟烟草和一些特定的烟草特异性N-亚硝胺

IARC Monographs:Volume 37: (1985) Tobacco Habits Other than Smoking; Betel-quid and Areca-nut Chewing; and Some Related Nitrosamines Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print) Volume 89: (2007) Smokeless Tobacco and Some Tobacco-specific N-Nitrosamines

来源:International Agency for Research on Cancer (IARC)

安全信息

• 危险品标志：
  T
• 安全说明：
  S45
• 危险类别码：
  R25
• WGK Germany：
  3
• 海关编码：
  29399990

文献信息

• MOLECULARLY IMPRINTED POLYMERS SELECTIVE FOR TOBACCO SPECIFIC NITROSAMINES AND METHODS OF USING THE SAME
  申请人：British American Tobacco (Investments) Limited

  公开号：EP2094119B1

  公开（公告）日：2016-03-09
• Molecularly imprinted polymers selective for nitrosamines and methods of using the same
  申请人：Bhattacharyya Sumita

  公开号：US20070186940A1

  公开（公告）日：2007-08-16

  A class of molecularly imprinted polymers that specifically recognizes and binds to nitrosamines members of which class are useful, for example, in analysis and separation of nitrosamines from biological fluids. Such molecularly imprinted polymers are also useful in methods of treating and manufacturing tobacco products and materials.
• Molecularly Imprinted Polymers Selective for Tobacco Specific Nitrosamines and Methods of Using the Same
  申请人：Rees Anthony

  公开号：US20110041859A1

  公开（公告）日：2011-02-24

  A class of molecularly imprinted polymers that specifically recognizes and binds to TSNAs are useful, for example, in analysis and separation of TSNAs from biological fluids. Such polymers are also useful in methods of treating and manufacturing tobacco products and materials.
• Molecularly Imprinted Polymers Selective for Tobacco Specific Nitrosamines and Methods of Using Same
  申请人：British American Tobacco (Investments) Limited

  公开号：US20140155555A1

  公开（公告）日：2014-06-05

  A class of molecularly imprinted polymers that specifically recognizes and binds to TSNAs are useful, for example, in analysis and separation of TSNAs from biological fluids. Such polymers are also useful in methods of treating and manufacturing tobacco products and materials.
• Molecularly Imprinted Polymers Selective for Nitrosamines and Methods of using the Same
  申请人：British American Tobacco (Investments) Limited

  公开号：US20140332015A1

  公开（公告）日：2014-11-13

  A class of molecularly imprinted polymers that specifically recognizes and binds to nitrosamines members of which class are useful, for example, in analysis and separation of nitrosamines from biological fluids. Such molecularly imprinted polymers are also useful in methods of treating and manufacturing tobacco products and materials.