2-(1-Benzothiophen-2-yl)ethan-1-amine

HCID 12666893CAS 126312-03-6

基本情報

標準SMILES: NCCc1cc2ccccc2s1
InChIKey: CXXDPBZCQSWJEZ-UHFFFAOYSA-N
分子式: C10H11NS
平均分子量: 177.27 g/mol

名称と識別子

優先名称: 2-(1-Benzothiophen-2-yl)ethan-1-amine
IUPAC: 2-(1-benzothiophen-2-yl)ethanamine

名称と別名

2-(1-benzothiophen-2-yl)ethan-1-amineRefChem:450847841-360-62-(benzo[b]thiophen-2-yl)ethanamineBenzo[b]thiophene-2-ethanamine2-(1-benzothiophen-2-yl)ethanamine2-Benzo[b]thiophen-2-yl-ethylamineMFCD080607162-(1-benzothien-2-yl)ethanamine hydrochloride2-(benzothiophen-2-yl)ethanamine2-(2-Benzothienyl)ethanamineSCHEMBL4889443

名称をさらに表示

CHEMBL4518683CXXDPBZCQSWJEZ-UHFFFAOYSA-NALBB-015186STL429935AKOS005174973EBC-610866BS-18918SY198817

データベース識別子

CAS: 126312-03-6
PubChem CID: 12666893
ChEMBL: CHEMBL4518683
EC Number: 841-360-6

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

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)