2-アミノピリジン-5-ボロン酸

(6-Aminopyridin-3-yl)boronic acid

HCID 22396308

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 851524-96-4
標準SMILES: Nc1ccc(B(O)O)cn1
InChIKey: NPJBPJIQMCHZLJ-UHFFFAOYSA-N
分子式: C5H7BN2O2
平均分子量: 137.93 g/mol
単同位体質量: 138.06005786

名称と識別子

優先名称: (6-Aminopyridin-3-yl)boronic acid
IUPAC: (6-amino-3-pyridinyl)boronic acid
現地名: 2-アミノピリジン-5-ボロン酸
英語名: (6-AMINOPYRIDIN-3-YL)BORONIC ACID
分子式: C5H7BN2O2
分子量: 137.93

名称と別名

851524-96-4(6-AMINOPYRIDIN-3-YL)BORONIC ACIDDTXSID70625446RefChem:404960DTXCID00576199849-039-26-Aminopyridine-3-boronic acid6-aminopyridin-3-ylboronic acid2-Aminopyridine-5-boronic acidMFCD09907980(2-AMINOPYRIDIN-5-YL)BORONIC ACIDBoronic acid, (6-amino-3-pyridinyl)-

名称をさらに表示

2-アミノピリジン-5-ボロン酸6-AMinopyridine-3-boronic...6-AAMINOPYRIDINE-3-BORONIC ACID2-amino-5-pyridinyl boronic acidBoronic acid, B-(6-amino-3-pyridinyl)-6-Aminopyridine-3-boronic acid - [A7476]6-Aminopyridine-3-boronic acid hydrochlorideB-(6-aMino-3-pyridinyl)-2-PyridineethanaMine

(6-amino-3-pyridyl)boronic acid6-aminopyridine-3-boronicacidSCHEMBL113132SCHEMBL294573872-amino-pyridine-5-boronic acid2-aminopyridin-5-yl-boronic acidNPJBPJIQMCHZLJ-UHFFFAOYSA-N6-amino-pyridin-3-yl-boronic acid

データベース識別子

CAS: 851524-96-4
PubChem CID: 22396308
DTXSID: DTXSID70625446
EC Number: 849-039-2

物性

構造計算による物性

極性表面積: 79.4 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 112

物理化学的性質

沸点: 388.3 · 388.3±52.0 °C(Predicted)
比重(密度): 1.33 · 1.33±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 4.24 · 4.24±0.10(Predicted)
外見: solid
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.