[2-(1-メチル-2-ピロリジニル)エチル]アミン

2-(2-Aminoethyl)-1-methylpyrrolidine

HCID 98388CAS 51387-90-7

基本情報

標準SMILES: CN1CCCC1CCN
InChIKey: PNHGJPJOMCXSKN-UHFFFAOYSA-N
分子式: C7H16N2
平均分子量: 128.22 g/mol
単同位体質量: 128.13134851

概要

1-Methylpyrrolidine-2-ethylamine is a pyrrolidine substituted by a methyl group at position 1 and bearing an ethylamine at position 2. It is functionally related to an ethylamine.

名称と識別子

優先名称: 2-(2-Aminoethyl)-1-methylpyrrolidine
IUPAC: 2-(1-methylpyrrolidin-2-yl)ethanamine
現地名: [2-(1-メチル-2-ピロリジニル)エチル]アミン
英語名: 2-(2-Aminoethyl)-1-methylpyrrolidine
分子式: C7H16N2
分子量: 128.22

名称と別名

2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-71-Methylpyrrolidine-2-ethylamineDTXSID4012913972-[2-Aminoethyl]-1-methylpyrrolidineRefChem:434680DTXCID40892840257-169-02-(1-methylpyrrolidin-2-yl)ethanamine2-Pyrrolidineethanamine, 1-methyl-MFCD000031752-(1-Methylpyrrolidin-2-Yl)Ethan-1-Amine

名称をさらに表示

[2-(1-メチル-2-ピロリジニル)エチル]アミン2-(1-メチルピロリジン-2-イル)エチルアミン2-(2-アミノエチル)-1-メチルピロリジン1-メチル-2-ピロリジンエタンアミン2-(1-メチル-2-ピロリジニル)エタンアミン1-メチル-2-(2-アミノエチル)ピロリジン2-(1-メチル-2-ピロリジニル)エチルアミン2-(2'-アミノエチル)-1-N-メチルピロリジン2-(1-メチルピロリジン-2-イル)エタン-1-アミン2-(2-Aminoethyl)-1-methyl2-(2-Aminoethyl)-1-methylpyN-Methyl-2-(2-aMinoethyl)pyr2-AMinoethyl-1-MethylpyrrolidineN-Methyl-2-Pyrrolidineethanamine1-methyl-2-(aminoethyl)pyrrolidine

2-(1-methylpyrrolidin-2-yl)ethylamine2-(2'-Aminoethyl)-1-N-methylpyrrolidine2-(1-Methyl-2-pyrrolidinyl)ethylamine1-Methylpyrrolidine-2-ethanamine(R)-1-METHYL-2-PYRROLIDINEETHANAMINE1-METHYL-2-(2-AMINOETHYL)PYRROLIDINE1-Methyl-2-pyrrolidineethanamineN-Methyl-2-(2-aminoethyl)pyrrolidine

データベース識別子

CAS: 51387-90-7
PubChem CID: 98388
DTXSID: DTXSID401291397
ChEBI: CHEBI:234484
EC Number: 257-169-0
Nikkaji: J236.383F

物性

構造計算による物性

XLogP: 0.2
極性表面積: 29.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 83

物理化学的性質

沸点: 152.7 · 152.7±8.0 °C(Predicted)
比重(密度): 0.885 g/mL · 0.885 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4684(lit.)
闪点: 149 °F · 149 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 10.34 · 10.34±0.40(Predicted)
外見: 粉
色: ライトベージュ～ライトブラウン
InChI: InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3
InChIKey: PNHGJPJOMCXSKN-UHFFFAOYSA-N
SMILES: N1(C)CCCC1CCN
CAS データベース: 51387 · 51387-90-7(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

安全データ

wgk: 2
ridadr: 2735
hs_code: 29339900
risk_code: 22-37/38-41
消防法: 危-4-2-III
hazard_code: Xn
safety_code: 26-39
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用2-(2-Aminoethyl)-1-methylpyrrolidine is used as an electrochemiluminescence probe within microfluidic chip for ECL detection. 2-(2-Aminoethyl)-1-methylpyrrolidine is also used in chemical microarrays to identify ligands that bind pathogenic cells.

一般的な説明2-(2-Aminoethyl)-1-methylpyrrolidine labelling acts as probe within microfluidic chip for electrochemiluminescence detection. It acts as electrogenerated chemiluminescence derivatization reagent for carboxylic acid in HPLC.