2-(3-フルオロフェニル)エチルアミン

2-(3-Fluorophenyl)ethanamine

HCID 533928CAS 404-70-6

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCc1cccc(F)c1
InChIKey: AUCVZEYHEFAWHO-UHFFFAOYSA-N
分子式: C8H10FN
平均分子量: 139.17 g/mol
単同位体質量: 139.07972754

名称と識別子

優先名称: 2-(3-Fluorophenyl)ethanamine
IUPAC: 2-(3-fluorophenyl)ethanamine
現地名: 2-(3-フルオロフェニル)エチルアミン
英語名: 3-Fluorophenethylamine
分子式: C8H10FN
分子量: 139.17

名称と別名

2-(3-Fluorophenyl)ethanamineRefChem:455572628-207-73-Fluorophenethylamine404-70-62-(3-fluorophenyl)ethylamine2-(3-Fluoro-phenyl)-ethylamine2-(3-fluorophenyl)ethan-1-amineMFCD00075376CHEMBL446238benzeneethanamine, 3-fluoro-m-Fluorophenethylamine

名称をさらに表示

3-フルオロフェネチラミン2-(3-フルオロフェニル)エチルアミン1-アミノ-2-(3-フルオロフェニル)エタン3-フルオロフェネチルアミン3‐フルオロフェネチルアミンRARECHEM AL BW 02083-Fluoro-benzeneethanaMine3-Fluorophenethylamine ,99%2-(3-Fluorophenyl)ethylamine>3-FluorophenethylaMine, 99% 5GR3-FluorophenethylaMine, 99% 25GR1-Amino-2-(3-fluorophenyl)ethane

3-flourophenethylaminem-fluorophenylethylamine3-fluoro phenethylamine3-fluoro-phenethylamine3-fluorophenethyl amine3-fluorophenethyl-amine3-fluorophenylethylamine3-fluoro-phenethyl amine

データベース識別子

CAS: 404-70-6
PubChem CID: 533928
DTXSID: DTXSID50336462
ChEMBL: CHEMBL446238
EC Number: 628-207-7
Nikkaji: J545.483B

物性

構造計算による物性

XLogP: 1.7
極性表面積: 26 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: 95.3

物理化学的性質

沸点: 87 °C/15 · 87 °C/15 mmHg (lit.)
比重(密度): 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.509(lit.)
闪点: 181 °F · 181 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 9.65 · 9.65±0.10(Predicted)
外見: 液体
比重: 1.066 · 1.066
色: 無色透明～淡黄色
InChI: 1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey: AUCVZEYHEFAWHO-UHFFFAOYSA-N
SMILES: NCCc1cccc(F)c1
CAS データベース: 404 · 404-70-6(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (11.1%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 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 CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29214990
risk_code: 34
消防法: 危-4-3-III
hazard_code: C
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用3-Fluorophenethylamine may be used in the synthesis of:N-(3-florophenyl)ethylcaffeamide and its anti-inflammatory activity was evaluatedN-{2-[(3-fluorophenyl)ethyl]}-2-methylpropanamideN-(3′-fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol