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首页 › 产品目录 › 4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮

CAS 64091-91-4C10H13N3O2MW 207.23

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮（CAS 64091-91-4）：分子式 C10H13N3O2、分子量 207.23；类别 有机化学品。

产品描述

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮（CAS 64091-91-4）是一种有机化学品原料。其分子式 C10H13N3O2 由 10 个碳、13 个氢、3 个氮、2 个氧 组成。 分子量约为 207.23。公开物性数据显示其熔点约 151 to 153 °F (NTP, 1992)、LogP 约 0.8。作为化工品采购代理与分销渠道，我们可在国内及跨境渠道为4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮寻源比价，并安排小批量试样与批次采购；下单前提供完整 COA、质检报告与合规文件，验收以批次 COA 为准。

规格参数

CAS号64091-91-4
分子式C10H13N3O2
分子量207.23
熔点151 to 153 °F (NTP, 1992)
LogP0.8
应用领域A constituent of tobacco smoke、NNK has no known use other than as a laboratory chemical、Methods of Manufacturing: ... By reaction of sodium hydroxide and sodium nitrite with 4-(N-methyl)-1-(3-pyridyl)-1-butanone dichloride、One of the products of the reaction of nicotine with nitrite、NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing of tobacco and in smoking. ... Common cigarette filters considerably reduce the amount of NNK that reaches the smoker
类别有机化学品

用途与场景

登记用途：A constituent of tobacco smoke、NNK has no known use other than as a laboratory chemical、Methods of Manufacturing: ... By reaction of sodium hydroxide and sodium nitrite with 4-(N-methyl)-1-(3-pyridyl)-1-butanone dichloride、One of the products of the reaction of nicotine with nitrite、NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing of tobacco and in smoking. ... Common cigarette filters considerably reduce the amount of NNK that reaches the smoker。

采购档案

这个产品是什么

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 64091-91-4，分子式 C10H13N3O2（分子量 207.23），归属于有机化学品大类化工原料。

识别信息

登记 CAS 号：64091-91-4

其分子式 C10H13N3O2 由 10 个碳、13 个氢、3 个氮、2 个氧 组成。

别名/同义词：4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 · 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone

所属分类：有机化学品

常见问题

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 的 CAS 号是多少？

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 的 CAS 登记号为 64091-91-4。

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 的分子式与分子量是多少？

分子式 C10H13N3O2，分子量 207.23。

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 还有哪些别名？

别名/同义词：4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮、4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone。

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 的登记用途是什么？

登记用途：A constituent of tobacco smoke、NNK has no known use other than as a laboratory chemical、Methods of Manufacturing: ... By reaction of sodium hydroxide and sodium nitrite with 4-(N-methyl)-1-(3-pyridyl)-1-butanone dichloride、One of the products of the reaction of nicotine with nitrite、NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing of tobacco and in smoking. ... Common cigarette filters considerably reduce the amount of NNK that reaches the smoker。

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮 属于哪个分类？

所属分类：有机化学品。

如何在 591daili.cn 采购 4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮？

请在联系页面提交产品名称、CAS 号与数量，我们作为采购代理在国内及跨境渠道为您寻源比价，安排试样与批次采购，下单前提供 COA 与合规文件。

包装与单证

包装按订单确认，从实验室小包装到吨袋大货，随订单安排而非在页面上写死。每批随货附 COA 分析证书，可另提供 MSDS；若终端用途带有法规限度（食品接触、药品或化妆品），请在询价时说明执行标准，等级按该标准确定。

PubChem 公开数据

4-(N-亚硝基甲基氨基)-1-(3-吡啶基)-1-丁酮（CAS 64091-91-4）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

Reported hazard statementsH301 (85.7%), H317 (91.8%), H351 (91.8%)

H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]

H317 (91.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

物理形态与操作说明

  • 4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone (nnk) is a pale yellow crystalline solid. (NTP, 1992)
  • Pale yellow solid; [CAMEO] White solid; [MSDSonline]
  • Solid
  • Light-yellow crystalline soild
  • Soluble in water and organic solvents
  • less than 1 (NTP, 1992)

公开数据库收录的理化数据

熔点151 to 153 °F (NTP, 1992)
熔点63 °C
熔点64 °C
溶解度10 to 50 mg/mL at 65.3 °F (NTP, 1992)

这个物质在各数据库里的编号

CAS Registry Number64091-91-4
PubChem CID47289
分子式C10H13N3O2
IUPAC 名称N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
UNII（FDA）7S395EDO61

数据库记载的用途

  • A constituent of tobacco smoke; [ChemIDplus]
  • NNK has no known use other than as a laboratory chemical.
  • ... By reaction of sodium hydroxide and sodium nitrite with 4-(N-methyl)-1-(3-pyridyl)-1-butanone dichloride
  • One of the products of the reaction of nicotine with nitrite
  • NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing of tobacco and in smoking. ... Common cigarette filters considerably reduce the amount of NNK that reaches the smoker.
  • Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

它在各数据库里的别名

64091-91-4; 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone; 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone; DTXSID3020881; N-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide; 4-(N-nitrosomethylamino)-1-(3-pyridyl)butan-1-one; CHEBI:32692; 7S395EDO61; 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one; 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone; DTXCID70881; Nicotine-derived nitrosamine ketone; 4-Methylnitrosamino-1,3-pyridyl-1-butanone; 4-n-nitrosomethylamino-1-3-pyridyl-1-butanone; NNK cpd

计算机算出的分子描述符

分子量207.23
XLogP30.8
氢键供体数0
氢键受体数5
可旋转键数5
精确质量207.100776666
单同位素质量207.100776666
拓扑极性表面积62.6
重原子数15
形式电荷0

数据库摘要

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone · CAS 64091-91-4 · C10H13N3O2. UNII 7S395EDO61. 熔点: 151 to 153 °F (NTP, 1992); 熔点: 63 °C; 熔点: 64 °C.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。

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