Benzo(b)thiophene-3-ethylamine, hydrochloride

HCID 209554CAS 19985-71-8

基本情報

標準SMILES: Cl.NCCc1csc2ccccc12
InChIKey: PVEKDTORMRYTRT-UHFFFAOYSA-N
分子式: C10H12ClNS
平均分子量: 213.73 g/mol
単同位体質量: 213.0378983

名称と識別子

優先名称: Benzo(b)thiophene-3-ethylamine, hydrochloride
IUPAC: 2-(1-benzothiophen-3-yl)ethanamine;hydrochloride

名称と別名

19985-71-8Benzo(b)thiophene-3-ethylamine, hydrochlorideDTXSID40173782RefChem:326248DTXCID00962732-(1-benzothiophen-3-yl)ethan-1-amine hydrochloride2-(benzo[b]thiophen-3-yl)ethanamine hydrochlorideBenzo[b]thiophene-3-ethanamine, hydrochloride (1:1)2-(1-benzothiophen-3-yl)ethanamine;hydrochlorideSCHEMBL2967756PVEKDTORMRYTRT-UHFFFAOYSA-NMFCD00152231

名称をさらに表示

AKOS026743450SY178161EN300-430852-(1-Benzothien-3-yl)ethanamine hydrochloride2-(benzo[b]thien-3-yl)ethylamine hydrochlorideG591262-(benzo[b]thiophen-3-yl)ethanaminehydrochloride3-[2-aminoethyl)benzo[b]thiophene hydrochloride

データベース識別子

CAS: 19985-71-8
PubChem CID: 209554
DTXSID: DTXSID40173782
EC Number: 631-556-8

物性

構造計算による物性

極性表面積: 54.3 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: 2
重原子数: 13
形式電荷: 0
複雑度: 149

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.