CAS 5192-23-4 4-Aminoindole (HCID 583431)

名称と識別子

優先名称: 4-Aminoindole
IUPAC: 1H-indol-4-amine
現地名: 4-アミノ-1H-インドール
英語名: 4-Aminoindole
分子式: C8H8N2
分子量: 132.16

名称と別名

4-Aminoindole5192-23-4DTXSID50342629RefChem:518239DTXCID10293709621-202-01H-Indol-4-amine1H-Indol-4-ylamineMFCD010765594-aminoindolindol-4-ylamine4-amino-1H-indol

名称をさらに表示

1H-インドール-4-アミン4-アミノ-1H-インドール4-アミノインドールインドール-4-アミン4‐アミノインドール4-INDOLAMINE4-AiminoindoleINDOLE-4-AMINE4-AMinoindole 97%(Indol-4-yl)amine4-Aminoindole >4-Aminoindole ,97%

4-amino-1h-indole1H-indol-4-yl-amineSCHEMBL113992indole-4-ylamineGEO-00149AKOS005206886A35742P-050

データベース識別子

CAS: 5192-23-4
PubChem CID: 583431
DTXSID: DTXSID50342629
ChEBI: CHEBI:183733
EC Number: 621-202-0
Nikkaji: J80.973J

物性

構造計算による物性

XLogP: 2.1
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: 0
重原子数: 10
形式電荷: 0
複雑度: 124

物理化学的性質

融点: 106 · 106-109 °C (lit.)
沸点: 354 · 354.0±15.0 °C(Predicted)
比重(密度): 1.268 · 1.268±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 18.23 · 18.23±0.30(Predicted)
外見: powder to crystal
色: White to Gray to Brown
水溶解度: 不溶性
BRN: 114919 · 114919
InChI: InChI=1S/C8H8N2/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,9H2
InChIKey: LUNUNJFSHKSXGQ-UHFFFAOYSA-N
SMILES: N1C2=C(C(N)=CC=C2)C=C1
CAS データベース: 5192 · 5192-23-4(CAS DataBase Reference)

化学的性質

化学的特性Greenish-grey to tan powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (18.8%): 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]；H335 (97.9%): 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, 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 48 reports by companies from 7 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (18.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

安全データ

F: 8-10-34
wgk: 3
hs_code: 29339990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD
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 · 3 件

用途有機合成原料。

使用4-Aminoindole may be used to synthesize:macrolactam tumour promoter indolactam Vtricyclic structure of 2-substituted-pyrrolo[2,3-h]quinolin-4-one4-azidoindole

一般的な説明4-Aminoindole is an indole derivative. Its cytokinin activity has been assessed by tobacco pith callus bioassay. 4-Aminoindole can be prepared by reacting 2,6-dinitrotoluene and N,N-dimethylformamide dimethylacetal in anhydrous DMF.