2-(2'-アミノフェニル)インドール

2-(2-Aminophenyl)indole

HCID 735966CAS 32566-01-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccccc1-c1cc2ccccc2[nH]1
InChIKey: IAKRGXQCKYFJCB-UHFFFAOYSA-N
分子式: C14H12N2
平均分子量: 208.26 g/mol
単同位体質量: 208.10004838

名称と識別子

優先名称: 2-(2-Aminophenyl)indole
IUPAC: 2-(1H-indol-2-yl)aniline
現地名: 2-(2'-アミノフェニル)インドール
英語名: 2-(1H-Indol-2-yl)aniline
分子式: C14H12N2
分子量: 208.26

名称と別名

2-(2-Aminophenyl)indole32566-01-1DTXSID20352891RefChem:453318DTXCID30303955624-293-52-(1H-indol-2-yl)aniline2-(2'-Aminophenyl)indoleMFCD00134432Benzenamine, 2-(1H-indol-2-yl)-2-(2-aminophenyl)-1H-indole2-(1H-indol-2-yl)-Benzenamine

名称をさらに表示

2-(2'-アミノフェニル)インドール2-(2-Aminophenyl)indole 97%

2-indol-2-ylphenylamine2-(2-Aminophenyl)-indol2-(2-Aminophenyl) indole2-(2-aminophenyl)benzazoleOprea1_625920BIDD:GT0091SCHEMBL221259SCHEMBL6161663

データベース識別子

CAS: 32566-01-1
PubChem CID: 735966
DTXSID: DTXSID20352891
ChEMBL: CHEMBL4559479
EC Number: 624-293-5
Nikkaji: J1.338.861J

物性

構造計算による物性

XLogP: 3
極性表面積: 41.8 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 241

物理化学的性質

融点: 154 · 154-155 °C(lit.)
沸点: 437.9 · 437.9±20.0 °C(Predicted)
比重(密度): 1.229 · 1.229±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 16.53 · 16.53±0.30(Predicted)
InChI: 1S/C14H12N2/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1-9,16H,15H2
InChIKey: IAKRGXQCKYFJCB-UHFFFAOYSA-N
SMILES: Nc1ccccc1-c2cc3ccccc3[nH]2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Reactant in:cascade reactions of benzopyranylidenemalonates with mono- and dinucleophilesReactant for preparation of:Mono-, bis-indolo[1,2-c]quinazolines as antimicrobial agentsIsocryptolepine alkaloid with antimalarial activityCyanoindolo[3,2-c]quinolines and benzimidazo[1,2-c]quinazolines as antitumor agents

一般的な説明2-(2-Aminophenyl)indole is an indole derivative. It has been reported as an amination reagent. 2-(2-Aminophenyl)indole undergoes condensation with 4,5-dichloro-1,2,3-dithiazolium chloride (Appel salt) to afford new 6-cyanoindolo[3,2-c]quinoline derivatives, having pharmacological applications.