2-メチルピロリジン

2-Methylpyrrolidine

基本情報

CAS: 765-38-8
標準SMILES: CC1CCCN1
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
分子式: C5H11N
平均分子量: 85.15 g/mol
単同位体質量: 85.08914935

概要

2-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. It has a role as a plant metabolite.

名称と識別子

優先名称: 2-Methylpyrrolidine
IUPAC: 2-methylpyrrolidine
現地名: 2-メチルピロリジン
英語名: 2-Methylpyrrolidine
分子式: C5H11N
分子量: 85.15

名称と別名

2-METHYLPYRROLIDINE765-38-8Pyrrolidine, 2-methyl-CHEBI:145240DTXSID70883347RefChem:88382DTXCID70869429212-144-3MFCD000144912-methyl pyrrolidine2-Methyl-pyrrolidine2-methylpyrolidine

名称をさらに表示

2-メチルピロリジン2‐メチルピロリジンRMA-5592-methyl-pyrrolidin2-MethylpyrrolidineHCl2-methyl-1-pyrrolidine2-Methylpyrrolidine,98%2-Methylpyrrolidine, 98% 2GRHydroxychloroquine Impurity 16Hydroxychloroquine Impurity 56

2-methylpyrroldine2-methyl-pyrolidineEINECS 212-144-3rac-2-methyl-pyrrolidinerac.-2-methylpyrrolidine2-(RS)-methylpyrrolidineracemic 2-methylpyrrolidine2-Methylpyrrolidine, 96%

データベース識別子

CAS: 765-38-8
PubChem CID: 13003
DTXSID: DTXSID70883347
ChEBI: CHEBI:145240
EC Number: 212-144-3
Nikkaji: J193.131H

物性

構造計算による物性

XLogP: 0.7
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 43.2

物理化学的性質

融点: -96.37 °C · -96.37°C (estimate)
沸点: 97 · 97-99 °C/744 mmHg (lit.)
比重(密度): 0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.437(lit.)
闪点: 37 °F · 37 °F
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 10.93 · 10.93±0.10(Predicted)
外見: 液体
色: 無色透明～薄黄色
水溶解度: 溶ける
InChI: InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
SMILES: N1CCCC1C
CAS データベース: 765 · 765-38-8(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Methylpyrrolidine(765-38-8)
EPAの化学物質情報: 2 · Pyrrolidine, 2-methyl- (765-38-8)

化学的性質

化学的特性clear colorless to light yellow liquid

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 · 4 件

Danger

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

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

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Pyrrolidine, 2-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 29339900
risk_code: 11-34-22
消防法: 危-4-1-S-II
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationPyrrolidine, 2-methyl-: INACTIVE

応用分野

使用2-Methylpyrrolidine can be used to produce2-(2-methylpyrrolidinyl)benzaldehydeat the temperature of152°C. It is commonly used as organic reagent.

一般的な説明2-Methylpyrrolidine is a substituted pyrrolidine. It is one of the major bioactive compounds found in Teucrium manghuaense. The hydrodenitrogenation of 2-methylpyrrolidine in the presence of sulfided NiMo/γ-Al2O3 catalyst has been studied.

上流・下流製品情報

下流製品

1-エチル-2-メチルピロリジン

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 765-38-8
標準SMILES: CC1CCCN1
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
分子式: C5H11N
平均分子量: 85.15 g/mol
単同位体質量: 85.08914935

概要

2-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. It has a role as a plant metabolite.