Benzo(b)thiophene-3-ethylamine, hydrochloride

HCID 209554CAS 19985-71-8

기본 정보

표준 SMILES: Cl.NCCc1csc2ccccc12
InChIKey: PVEKDTORMRYTRT-UHFFFAOYSA-N
분자식: C10H12ClNS
평균 분자량: 213.73 g/mol
단동위원소 질량: 213.0378983

이름 및 식별자

우선 이름: Benzo(b)thiophene-3-ethylamine, hydrochloride
IUPAC: 2-(1-benzothiophen-3-yl)ethanamine;hydrochloride

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 54.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 149

안전 및 규제

GHS 분류

GHS Classification · 5건

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.