Benzo[b]thiophene-3-ethanamine

HCID 26743CAS 14585-66-1

기본 정보

표준 SMILES: NCCc1csc2ccccc12
InChIKey: YWXDBWNXMZHMFX-UHFFFAOYSA-N
분자식: C10H11NS
평균 분자량: 177.27 g/mol
단동위원소 질량: 177.06122035

이름 및 식별자

우선 이름: Benzo[b]thiophene-3-ethanamine
IUPAC: 2-(1-benzothiophen-3-yl)ethanamine
영어명: Benzo[b]thiophene-3-ethylaMine
분자식: C10H11NS
분자량: 177.27

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 54.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

물리화학적 성질

끓는 점: 125 °C · 125 °C(Press: 1 Torr)
밀도: 1.185 · 1.185±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.02 · 10.02±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.