2-(1-アゼパニル)エタンアミン

Hexahydro-1H-azepine-1-ethanamine

HCID 40002CAS 51388-00-2

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCN1CCCCCC1
InChIKey: QHRBDFUMZORTQD-UHFFFAOYSA-N
分子式: C8H18N2
平均分子量: 142.24 g/mol
単同位体質量: 142.14699858

名称と識別子

優先名称: Hexahydro-1H-azepine-1-ethanamine
IUPAC: 2-(azepan-1-yl)ethanamine
現地名: 2-(1-アゼパニル)エタンアミン
英語名: 2-Azepan-1-yl-ethylamine
分子式: C8H18N2
分子量: 142.24

名称と別名

51388-00-22-(azepan-1-yl)ethan-1-amineHEXAHYDRO-1H-AZEPINE-1-ETHANAMINEDTXSID60199388RefChem:786121DTXCID90121879673-642-82-(azepan-1-yl)ethanamine2-Azepan-1-yl-ethylamine2-azepan-1-ylethanamineN-2-Aminoethyl homopiperidineMFCD00046120

名称をさらに表示

2-(1-アゼパニル)エタンアミン2-(アゼパン-1-イル)エタン-1-アミンヘキサヒドロ-1H-アゼピン-1-エタンアミンBUTTPARK 154\16-20RARECHEM AL BW 11262-(1-azepanyl)ethanamine 1HCl

2-(1-azepanyl)ethanamine1H-Azepine-1-ethanamine, hexahydro-2-Azepan-1-ylethylamine2-(1-Azepanyl)ethylamine2-azaperhydroepinylethylamine2-HexamethyleniminoethylamineSCHEMBL476405N-(2-aminoethyl)homopiperidine

データベース識別子

CAS: 51388-00-2
PubChem CID: 40002
DTXSID: DTXSID60199388
EC Number: 673-642-8
Nikkaji: J1.619.770J

物性

構造計算による物性

XLogP: 0.8
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: 10
形式電荷: 0
複雑度: 75.3

物理化学的性質

融点: 200 °C · 200 °C
沸点: 46 · 46-52°C/1mm
比重(密度): 0.908 · 0.908±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 10.21 · 10.21±0.10(Predicted)
InChI: InChI=1S/C8H18N2/c9-5-8-10-6-3-1-2-4-7-10/h1-9H2
InChIKey: QHRBDFUMZORTQD-UHFFFAOYSA-N
SMILES: N1(CCN)CCCCCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

安全データ

hazard_code: Xi
hazard_class: IRRITANT

化学と産業

応用分野

使用2-Azepan-1-yl-ethylamine is an important organic reagent that can be used as a building block to synthesize mang organic compounds,such as 1-[2-(azepan-1-yl)ethyl]-3-phenylurea.