ベンゾ[b]チオフェン-3-エタン-1-アミン

Benzo[b]thiophene-3-ethanamine

HCID 26743CAS 14585-66-1

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCc1csc2ccccc12
InChIKey: YWXDBWNXMZHMFX-UHFFFAOYSA-N
分子式: C10H11NS
平均分子量: 177.27 g/mol
単同位体質量: 177.06122035

名称と識別子

優先名称: Benzo[b]thiophene-3-ethanamine
IUPAC: 2-(1-benzothiophen-3-yl)ethanamine
現地名: ベンゾ[b]チオフェン-3-エタン-1-アミン
英語名: Benzo[b]thiophene-3-ethylaMine
分子式: C10H11NS
分子量: 177.27

名称と別名

14585-66-1Benzo[b]thiophene-3-ethanamine3-beta-Aminoethylbenzothiophene3-(2-Aminoethyl)benzothiopheneBRN 01255123-(2-Aminoethyl)benzo(b)thiopheneBenzo(b)thiophene-3-ethanamineBENZO(b)THIOPHENE-3-ETHYLAMINEBenzo(b)thiophene-3-ethanamine (9CI)DTXSID001631694-18-00-07170 (Beilstein Handbook Reference)RefChem:118208

名称をさらに表示

2-(1-ベンゾチオフェン-3-イル)エタン-1-アミンベンゾ[b]チオフェン-3-エタン-1-アミンBenzo[b]thiophene-3-ethylaMineBenzo[b]thiophene-3-ethylaMine ISO 9001：2015 REACH

DTXCID0085660630-830-42-(Benzo[b]thiophen-3-yl)ethanamine2-(1-benzothiophen-3-yl)ethan-1-amine2-(1-benzothiophen-3-yl)ethanamine2-(benzo[b]thiophen-3-yl)ethan-1-amine2-benzo[b]thiophen-3-ylethylamineSCHEMBL277679

データベース識別子

CAS: 14585-66-1
PubChem CID: 26743
DTXSID: DTXSID00163169
EC Number: 630-830-4
Nikkaji: J41.937K

物性

構造計算による物性

XLogP: 2.3
極性表面積: 54.3 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: 12
形式電荷: 0
複雑度: 149

物理化学的性質

沸点: 125 °C · 125 °C(Press: 1 Torr)
比重(密度): 1.185 · 1.185±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.02 · 10.02±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.