1-メチルピペリジン

N-Methylpiperidine

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基本情報

CAS: 626-67-5
標準SMILES: CN1CCCCC1
InChIKey: PAMIQIKDUOTOBW-UHFFFAOYSA-N
分子式: C6H13N
平均分子量: 99.17 g/mol
単同位体質量: 99.10479942

概要

1-methylpiperidine appears as a colorless liquid with the odor of pepper. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.

名称と識別子

優先名称: N-Methylpiperidine
IUPAC: 1-methylpiperidine
現地名: 1-メチルピペリジン
英語名: N-Methylpiperidine
分子式: C6H13N
分子量: 99.17

名称と別名

1-MethylpiperidineN-METHYLPIPERIDINE626-67-5Piperidine, 1-methyl-617374QZN4DTXSID8060822RefChem:163887DTXCID0043420210-959-9methylpiperidinemethylpiperdineLK 20

名称をさらに表示

1-メチルピペリジン1α-メチルピペリジンn-メチルピペリジンＮメチルピペリジンN-メチルピペリジン(1-〃)1‐メチルピペリジンN‐メチルピペリジンNMPPRN-MEPIPlk201-Pipecolinepiperidine soL1-METHYLPIPERDINE1-methyl-piperidinN-methylpepiridine

1-methylpiperadine1-Methyl-piperidineTP1/Mepiquat chlorideMFCD00006491UN 2399N-methyl piperidineEINECS 210-959-9UN2399

データベース識別子

CAS: 626-67-5
PubChem CID: 12291
DTXSID: DTXSID8060822
ChEMBL: CHEMBL281417
UNII: 617374QZN4
EC Number: 210-959-9
Nikkaji: J39.106I

物性

構造計算による物性補完中

XLogP: 1.3
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 46.1

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point

Physical Description1-methylpiperidine appears as a colorless liquid with the odor of pepper. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.

Ionization Efficiency · 6 件

Positive

3.01

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Dissociation Constants10.1

物理化学的性質

融点: -50 °C · -50 °C
沸点: 106 · 106-107 °C (lit.)
比重(密度): 0.816 g/mL · 0.816 g/mL at 25 °C (lit.)
蒸気圧: 35.7 hPa · 35.7hPa at 20℃
屈折率: 20 · n20/D 1.438
闪点: 38 °F · 38 °F
貯蔵温度: 20 °C · −20°C
溶解性: Chloroform (Sparingly), Methanol (Slightly)

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 279 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Regulatory Information · 4 件

Chemical: Piperidine, 1-methyl-

REACH registered substance: 1-methylpiperidine (EC: 210-959-9)

Piperidine, 1-methyl-: HSNO Approval: HSR001201 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Corrosive

Fire Hazards · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Health Hazards · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

DOT ID and Guide2399 132

Reactive GroupAmines, Phosphines, and Pyridines

化学と産業

用途と製造

General Manufacturing InformationPiperidine, 1-methyl-: ACTIVE

応用分野 · 5 件

用途綿の木の生長調整物質の製造

用途有機合成原料。

説明This simple piperidine derivative has been obtained from Girgensohnia diptera Bge. It is optically inactive and furnishes a crystalline picrate, m.p. 15 I-2°C and a picrolonate, m.p. 226°C.

使用Reactant for: ·sp3 C-H Bond activation with ruthenium(II) catalysts and C(3)-alkylation of cyclic amines ·One-pot synthesis of Z-cinnamic acids Reactant for synthesis of: ·Unsymmetrical ureas ·Antibacterial imidazolium, pyrrolidinium, and piperidinium salts ·C1-C16 segment of goniodomin A via palladium-catalyzed organostannane thioester coupling ·Multi-targeted inhibitors of insulin-like growth factor-1 receptor and members of ErbB-family receptor kinases

一般的な説明A colorless liquid with the odor of pepper. Density 0.816 g / cm3 and flash point 38°F. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.

上流・下流製品情報

上流原料

化合物ノート

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基本情報

CAS: 626-67-5
標準SMILES: CN1CCCCC1
InChIKey: PAMIQIKDUOTOBW-UHFFFAOYSA-N
分子式: C6H13N
平均分子量: 99.17 g/mol
単同位体質量: 99.10479942

概要

1-methylpiperidine appears as a colorless liquid with the odor of pepper. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.