2-(3,4-ジヒドロイソキノリン-2(1H)-イル)エタンアミン

2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine

HCID 40742CAS 53356-51-7

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCN1CCc2ccccc2C1
InChIKey: JTEJMGHPAYJBTA-UHFFFAOYSA-N
分子式: C11H16N2
平均分子量: 176.26 g/mol
単同位体質量: 176.13134851

名称と識別子

優先名称: 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine
IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
現地名: 2-(3,4-ジヒドロイソキノリン-2(1H)-イル)エタンアミン
英語名: 2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANAMINE
分子式: C11H16N2
分子量: 176.26

名称と別名

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amineRefChem:450246837-778-32-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine53356-51-72-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamineMFCD017173142(1H)-ISOQUINOLINEETHYLAMINE, 3,4-DIHYDRO-2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine2(1H)-Isoquinolineethanamine, 3,4-dihydro-BRN 13707703,4-Dihydro-2(1H)-isoquinolineethylamine

名称をさらに表示

2-(3,4-ジヒドロイソキノリン-2(1H)-イル)エタンアミン3,4-ジヒドロ-2(1H)-イソキノリンエタンアミン2-(1,2,3,4-テトラヒドロイソキノリン-2-イル)エタンアミン2-(1,2,3,4-テトラヒドロイソキノリン-2-イル)エタン-1-アミン2-(3,4-Dihydroisoquinolin-2(1H)3,4-Dihydro-2(1H)-isoquinolineethanamine2(1H)-IsoquinolineethanaMine,3,4-dihydro-2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethylamine2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylamine2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine(SALTDATA: 2HCl)

2-(1,2,3,4-Tetrahydro-2-isoquinoline)ethylamineNSC1599575-20-06-00335 (Beilstein Handbook Reference)SCHEMBL335190SCHEMBL29760081DTXSID60201516JTEJMGHPAYJBTA-UHFFFAOYSA-NALBB-005368

データベース識別子

CAS: 53356-51-7
PubChem CID: 40742
DTXSID: DTXSID60201516
EC Number: 837-778-3
Nikkaji: J86.392K

物性

構造計算による物性

XLogP: 0.9
極性表面積: 29.3 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: 13
形式電荷: 0
複雑度: 158

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.