3-(4-アミノフェニル)ピリジン

4-(Pyridin-3-yl)aniline

HCID 459522

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 82261-42-5
標準SMILES: Nc1ccc(-c2cccnc2)cc1
InChIKey: DKFDPLVNPGJNDE-UHFFFAOYSA-N
分子式: C11H10N2
平均分子量: 170.21 g/mol
単同位体質量: 170.08439833

名称と識別子

優先名称: 4-(Pyridin-3-yl)aniline
IUPAC: 4-pyridin-3-ylaniline
現地名: 3-(4-アミノフェニル)ピリジン
英語名: 4-(3-Pyridyl)aniline
分子式: C11H10N2
分子量: 170.21

名称と別名

4-(pyridin-3-yl)anilineRefChem:516832674-609-04-pyridin-3-ylaniline82261-42-54-(3-Pyridyl)aniline4-pyridin-3-yl-phenylamine3-(4-aminophenyl)pyridineMFCD00956763Benzenamine, 4-(3-pyridinyl)-4-Pyridin-3-yl aniline4-Pyridin-3-ylphenylamine

名称をさらに表示

4-(3-ピリジニル)ベンゼンアミン4-(3-ピリジニル)アニリン3-(4-アミノフェニル)ピリジン4-(3-ピリジル)アニリン4-ピリジン-3-イルアニリン4‐ピリジン‐3‐イルアニリン4-(ピリジン-3-イル)アニリン2-Pyridyl-4-aniline4-(3-Pyridyl)aminobenzene4-（3-pyridyl）benzeneamine4-(3-Pyridinyl)benzenamine

4-(3-pyridinyl)aniline4-(3-pyridyl)phenylamine3-(p-Aminophenyl)pyridine4-(pyridine-3-yl)aniline3-(4'-aminophenyl)pyridine3-(4-aminophenyl)-pyridine4-(Pyridin-3-yl)phenylamineSCHEMBL225149

データベース識別子

CAS: 82261-42-5
PubChem CID: 459522
DTXSID: DTXSID30332669
ChEBI: CHEBI:195076
EC Number: 674-609-0
Nikkaji: J35.831B

物性

構造計算による物性

XLogP: 1.8
極性表面積: 38.9 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: 1
重原子数: 13
形式電荷: 0
複雑度: 150

物理化学的性質

融点: 115 °C · 115 °C
沸点: 333 ℃ · 333℃
比重(密度): 1.133 · 1.133
闪点: 182 ℃ · 182℃
貯蔵温度: 2 · 2-8°C
外見: crystalline powder
酸解離定数(Pka): 5.54 · 5.54±0.10(Predicted)
色: Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.