4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン

4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン 化学構造式
64091-91-4
CAS番号.
64091-91-4
化学名:
4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン
别名:
4-[メチル(ニトロソ)アミノ]-1-(3-ピリジニル)-1-ブタノン;4-(メチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン;4-(メチルニトロソアミノ)-1-(3-ピリジニル)-1-ブタノン;3-[4-(メチルニトロソアミノ)ブチリル]ピリジン;4-[ニトロソ(メチル)アミノ]-1-(3-ピリジニル)-1-ブタノン;1-(3-ピリジニル)-4-(メチルニトロソアミノ)ブタン-1-オン;4-(1-メチル-2-オキソヒドラジノ)-1-(3-ピリジニル)-1-ブタノン;4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン;4-[メチル(ニトロソ)アミノ]-1-(3-ピリジル)-1-ブタノン;4-(メチルニトロソアミノ)-1-(ピリジン-3-イル)-1-ブタノン;1-(3-ピリジニル)-4-(メチルニトロソアミノ)-1-ブタノン;4-(メチルニトロソアミノ)-1-(3-ピリジル)-ブタン-1-オン;4-(N-ニトロソメチルアミノ)-1-(3-ピリジル)-1-ブタノン;4-[(メチル)ニトロソアミノ]-1-(3-ピリジニル)-1-ブタノン;4-(N-メチル-N-ニトロソアミノ)-1-(3-ピリジル)-1-ブタノン;1-(3-ピリジル)-4-(メチルニトロソアミノ)-1-ブタノン;1-(3-ピリジル)-4-[メチル(ニトロソ)アミノ]-1-ブタノン;4-(メチルニトロソアミノ)-1-(ピリジン-3-イル)ブタン-1-オン;4-(N-メチル-N-ニトロソアミノ)-1-(3-ピリジニル)-1-ブタノン;3-ピリジル3-(N-メチル-N-ニトロソアミノ)プロピルケトン
英語名:
4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
英語别名:
NNK;Chebi:32692;Nnk (carcinogen);Nicotine-derived nitrosamine ketone;NNK 100 UG/ML IN NONANE/ETHANOL (9:1);4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE;4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE;4-(METHYLNITROSAMINO)-1-(3-PYRIDIYL)-1-BUTANONE
CBNumber:
CB0775599
化学式:
C10H13N3O2
分子量:
207.23
MOL File:
64091-91-4.mol

4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン 物理性質

融点 :
63-65°C
沸点 :
346.25°C (rough estimate)
比重(密度) :
1.1933 (rough estimate)
屈折率 :
1.4830 (estimate)
闪点 :
9℃
貯蔵温度 :
Amber Vial, -20°C Freezer
溶解性:
DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml,
酸解離定数(Pka):
3.19±0.10(Predicted)
外見 :
Solid
色:
White to light yellow
BRN :
3548355
安定性::
安定。強力な酸化剤とは相容れない。
InChI:
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey:
FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES:
C(C1=CC=CN=C1)(=O)CCCN(C)N=O
CAS データベース:
64091-91-4
IARC:
1 (Vol. Sup 7, 89, 100E) 2012
EPAの化学物質情報:
4-(Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (64091-91-4)
安全性情報
  • リスクと安全性に関する声明
  • 危険有害性情報のコード(GHS)
主な危険性  Xn,T,F
Rフレーズ  26/27/28-45-43-40-22-39/23/24/25-23/24/25-11
Sフレーズ  45-53-36/37-16
RIDADR  2811
WGK Germany  3
RTECS 番号 OB6465000
国連危険物分類  6.1
容器等級  II
HSコード  38220090
有毒物質データの 64091-91-4(Hazardous Substances Data)
毒性 LD50 intraperitoneal in mouse: 1gm/kg
絵表示(GHS) GHS hazard pictogramsGHS hazard pictograms
注意喚起語 危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード
H301 飲み込むと有毒 急性毒性、経口 3 危険 GHS hazard pictograms P264, P270, P301+P310, P321, P330,P405, P501
H317 アレルギー性皮膚反応を起こすおそれ 感作性、皮膚 1 警告 GHS hazard pictograms P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H351 発がんのおそれの疑い 発がん性 2 警告 P201, P202, P281, P308+P313, P405,P501
注意書き
P201 使用前に取扱説明書を入手すること。
P280 保護手袋/保護衣/保護眼鏡/保護面を着用するこ と。
P302+P352 皮膚に付着した場合:多量の水と石鹸で洗うこと。

4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン 価格 もっと(4)

メーカー 製品番号 製品説明 CAS番号 包装 価格 更新時間 購入
富士フイルム和光純薬株式会社(wako) W01TRCM325750 4-(メチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
64091-91-4 100mg ¥63300 2024-03-01 購入
富士フイルム和光純薬株式会社(wako) W01TRCM325750 4-(メチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone
64091-91-4 1g ¥489600 2024-03-01 購入
Sigma-Aldrich Japan N-076 4-(メチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン(NNK) 溶液 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material
64091-91-4 1ml ¥44200 2024-03-01 購入
Sigma-Aldrich Japan 78013 4-(メチルニトロソアミノ)-1-(3-ピリジニル)-1-ブタノン analytical standard
4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone analytical standard
64091-91-4 10mg ¥39100 2024-03-01 購入

4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン 化学特性,用途語,生産方法

化学的特性

Off-White Crystals

使用

This compound was present in the highest concentrations in smokeless tobacco out of the nitrosamines identified. Readily produces cancer in rats and hamsters

調製方法

NNK is not produced commercially. NNK is formed by oxidation and nitrosation of nicotine and is produced during the curing, aging, processing, and smoking of tobacco. NNK has been found in tobacco at levels up to 35 mg/kg, in snuff up to 8.3 mg/kg, and in cigarette smoke up to 0.5 mg per cigarette (179, 193). Common cigarette filters considerably reduce the amount of NNK that reaches the smoker. NNK is extracted from snuff by the saliva of users, and as much as 0.2 μg/g of saliva has been measured. Potential exposure to NNK is widespread also among those exposed to sidestream smoke and has been detected at 0.2–15.7 μg/ cigarette. Evidence from one comparative study of tobacco-specific nitrosamines in cigarettes suggests that levels of NNK (measured as a sum of all tobacco-specific nitrosamines) are higher in non-Moldovan cigarette tobacco and Moldovan blended cigarettes, suggesting that current tobacco production and manufacturing technologies may create conditions that favor N-nitrosation of alkaloids and other tobacco constituents.

一般的な説明

Pale yellow crystalline solid.

空気と水の反応

4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE may be sensitive to prolonged exposure to air and light.

反応プロフィール

A nitrated amine and ketone. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

火災危険

Flash point data for 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE are not available; however, 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE is probably combustible.

安全性プロファイル

Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. An experimental teratogen. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx.

発がん性

4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone (NNK) is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン 上流と下流の製品情報

原材料

準備製品


4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン 生産企業

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4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン  スペクトルデータ(1HNMR)


64091-91-4(4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン)キーワード:


  • 64091-91-4
  • n-methyl-n-nitroso-4-oxo-4-(3-pyridyl)butylamine
  • NNK
  • 4-(METHYLNITROSAMINE)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDIYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-(3-PYRIDYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-BUTANONE
  • 4-(N-METHYLNITROSAMINO)-1-(3-PYRIDINYL)-1-BUTANONE
  • 4-(METHYL-N-NITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(1-Methyl-2-oxohydrazino)-1-(3-pyridinyl)-1-butanone
  • 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanon
  • 4-(nitrosoamino-n-methyl)-1-(3-pyridyl)-1-butanone
  • 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone
  • 1-(3-Pyridyl)-4-(methylnitrosoamino)-1-butanone
  • 3-Pyridyl 3-(N-methyl-N-nitrosoamino)propyl ketone
  • 4-(N-Methylnitrosoamino)-1-(3-pyridyl)-1-butanone
  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)butan-1-one
  • 4-[Methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
  • Chebi:32692
  • Nnk (carcinogen)
  • 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone,4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK
  • 4-(N-METHYL-N-NITROSOAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANONE
  • 4-(MethylnitrosaMino)-1-(3-pyridyl)-1-butanone (1.0 Mg/ML in Acetonitrile)
  • 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) solution
  • 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanon
  • 4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 98+%
  • 4-(Methylnitrosamino)-1-(3-pyridinyl)-1-butanone, NNK
  • 4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone
  • 4-[メチル(ニトロソ)アミノ]-1-(3-ピリジニル)-1-ブタノン
  • 4-(メチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン
  • 4-(メチルニトロソアミノ)-1-(3-ピリジニル)-1-ブタノン
  • 3-[4-(メチルニトロソアミノ)ブチリル]ピリジン
  • 4-[ニトロソ(メチル)アミノ]-1-(3-ピリジニル)-1-ブタノン
  • 1-(3-ピリジニル)-4-(メチルニトロソアミノ)ブタン-1-オン
  • 4-(1-メチル-2-オキソヒドラジノ)-1-(3-ピリジニル)-1-ブタノン
  • 4-(N-ニトロソメチルアミノ)-1-(3-ピリジニル)-1-ブタノン
  • 4-[メチル(ニトロソ)アミノ]-1-(3-ピリジル)-1-ブタノン
  • 4-(メチルニトロソアミノ)-1-(ピリジン-3-イル)-1-ブタノン
  • 1-(3-ピリジニル)-4-(メチルニトロソアミノ)-1-ブタノン
  • 4-(メチルニトロソアミノ)-1-(3-ピリジル)-ブタン-1-オン
  • 4-(N-ニトロソメチルアミノ)-1-(3-ピリジル)-1-ブタノン
  • 4-[(メチル)ニトロソアミノ]-1-(3-ピリジニル)-1-ブタノン
  • 4-(N-メチル-N-ニトロソアミノ)-1-(3-ピリジル)-1-ブタノン
  • 1-(3-ピリジル)-4-(メチルニトロソアミノ)-1-ブタノン
  • 1-(3-ピリジル)-4-[メチル(ニトロソ)アミノ]-1-ブタノン
  • 4-(メチルニトロソアミノ)-1-(ピリジン-3-イル)ブタン-1-オン
  • 4-(N-メチル-N-ニトロソアミノ)-1-(3-ピリジニル)-1-ブタノン
  • 3-ピリジル3-(N-メチル-N-ニトロソアミノ)プロピルケトン
  • 4-[メチル(ニトロソ)アミノ]-1-(3-ピリジニル)ブタン-1-オン
  • 4-(N-メチルニトロソアミノ)-1-(3-ピリジル)-1-ブタノン
  • 4-[メチル(ニトロソ)アミノ]-1-(ピリジン-3-イル)-1-ブタノン
  • 4-[(メチル)ニトロソアミノ]-1-(3-ピリジニル)ブタン-1-オン
  • 1-(3-ピリジニル)-4-[ニトロソ(メチル)アミノ]-1-ブタノン
  • 4-(メチルニトロソアミノ)-1-(3-ピリジル)ブタナール
  • 4(Nニトロソメチルアミノ)1(3ピリジル)1ブタノン
  • 4-(メチルニトロソアミノ)-1-(3-ピリジニル)ブタン-1-オン
  • 1-(3-ピリジニル)-4-[ニトロソ(メチル)アミノ]ブタン-1-オン
  • 1-(3-ピリジニル)-4-(2-オキソ-1-メチルヒドラジノ)-1-ブタノン
  • NNK
  • 4-[メチル(ニトロソ)アミノ]-1-(ピリジン-3-イル)ブタン-1-オン
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