N-(2-クロロベンジル)-2-(2-チエニル)エチルアミン塩酸塩

N-((2-chlorophenyl)methyl)thiophene-2-ethylamine hydrochloride

HCID 6454011

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 60612-23-9
標準SMILES: Cl.Clc1ccccc1CNCCc1cccs1
InChIKey: QDHAJZRYUIMPDU-UHFFFAOYSA-N
分子式: C13H15Cl2NS
平均分子量: 288.2 g/mol
単同位体質量: 287.03022584

名称と識別子

優先名称: N-((2-chlorophenyl)methyl)thiophene-2-ethylamine hydrochloride
IUPAC: N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloride
現地名: N-(2-クロロベンジル)-2-(2-チエニル)エチルアミン塩酸塩
英語名: N-(2-Chlorobenzyl)-2-(2-thienyl)ethylamine hydrochloride
分子式: C13H15Cl2NS
分子量: 288.24

名称と別名

60612-23-9N-((2-Chlorophenyl)methyl)thiophene-2-ethylamine hydrochlorideEINECS 262-327-7DTXSID50209420N-[(2-chlorophenyl)methyl]thiophene-2-ethylamine hydrochlorideRefChem:822887DTXCID70131911262-327-7N-(2-CHLOROBENZYL)-2-(2-THIENYL)ETHYLAMINE HYDROCHLORIDEN-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;hydrochloriden-(2-chlorobenzyl)-2-(thiophen-2-yl)ethanamine hydrochlorideN-(2-Chlorobenzyl)-2-(thiophen-2-yl)ethan-1-amine hydrochloride

名称をさらに表示

N-(2-クロロベンジル)-2-(2-チエニル)エチルアミン塩酸塩N-[(2-クロロフェニル)メチル]-2-チオフェンエタンアミン・塩酸塩Ticlodipine EP Impurity ITiclopidine EP Impurity I HClN-(2-Chlorobenzyl)-2-(thiophen-2-ylN-(2-CHLOROBENZYL)-2-(2-THIENYL)ETHYLAMINE HCLTiclopidine Hydrochloride EP Impurity I as HydrochlorideN-(2-Chlorobenzyl)-2-(-2-thienty)ethylamine HydrochlorideClopidogrel Impurity 11/N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine hydrochloride

Ticlopidine Hydrochloride Imp. I (EP); Ticlopidine Imp. I (EP); N-(2-Chlorobenzyl)-2-(thiophen-2-yl)ethanamine Hydrochloride; Ticlopidine Hydrochloride Imp. I (EP) as Hydrochloride; Ticlopidine Hydrochloride Impurity I as Hydrochloride; Ticlopidine Impurity I as Hydrochloridestarbld0002310SCHEMBL8088250N-(2-chloro-benzyl)-2-(2-thienyl)-ethylamine hydrochlorideN-(2-chloro-benzyl)-2-(2-thienyl)ethylamine hydrochlorideN-(2-chlorobenzyl )-2-(2-thienyl)-ethylamine hydrochlorideN-(2-chlorobenzyl)-2-(2-thienyl)-ethylamine hydrochlorideN-[(2-chlorophenyl-methyl)]-2-(2-thienyl)ethylamine HCl

データベース識別子

CAS: 60612-23-9
PubChem CID: 6454011
DTXSID: DTXSID50209420
EC Number: 262-327-7

物性

構造計算による物性

極性表面積: 40.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 17
形式電荷: 0
複雑度: 200

物理化学的性質

融点: 143 °C · 143 °C
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: Solid
色: White to Off-White
安定性: Hygroscopic

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 InformationStatus: Active Update: 23-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22129

Hazard Classes and CategoriesAcute Tox. 4 (80%)

安全データ

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 H302

化学と産業

応用分野

用途有機合成原料。

使用N-(2-Chlorobenzyl)-2-(2-thienyl)ethylamine is an intermediate used to prepare acid addition salts of 4, 5, 6, 7 - tetrahydrothieno (3,2-c) pyridine derivatives having antithrombotic activity.