1-(2-Pyridyl)piperazine (HCID 94459)

概要

Stibavirin is a member of the class of cinnamic acids that is trans-cinnamic acid substituted by a dihydroxy(oxo)-5-stibanyl group at position 3 of the phenyl ring. It has a role as an anti-HIV-1 agent. It is a member of cinnamic acids and an antimony oxoacid.

名称と識別子

優先名称: 1-(2-Pyridyl)piperazine
IUPAC: 1-pyridin-2-ylpiperazine
現地名: 1-(2-ピリジル)ピペラジン
英語名: 1-(2-Pyridyl)piperazine
分子式: C9H13N3
分子量: 163.22

名称と別名

1-(2-Pyridyl)piperazine34803-66-21-(2-Pyridinyl)piperazine5IO1HZP7ZNNSC-137781DTXSID90188341NSC-26624RefChem:74210DTXCID20110832252-220-31-(pyridin-2-yl)piperazine1-Pyridin-2-yl-piperazine

名称をさらに表示

1-(2-ピリジル)ピペラジン2-(1-ピペラジニル)ピリジン2-ピペラジノピリジン1-(2-ピリジニル)ピペラジン1‐(2‐ピリジル)ピペラジン1-(ピリジン-2-イル)ピペラジン1-(2-ピリジル)ピペラジン, 99%NSC13778NSC 26624NSC 137781AKOS BBS-00003613BUTTPARK 82\08-03RARECHEM AH CK 0193TIMTEC-BB SBB0064452-pyridyl piperazineLABOTEST-BB LTBB000605

1-pyridin-2-ylpiperazine2-PiperazinopyridinePiperazine, 1-(2-pyridinyl)-2-pyridylpiperazineMFCD000062162-(1-Piperazinyl)pyridine2-(Piperazin-1-yl)pyridineN-(2-pyridyl)piperazine

データベース識別子

CAS: 34803-66-2
PubChem CID: 94459
DTXSID: DTXSID90188341
ChEMBL: CHEMBL18094
ChEBI: CHEBI:231728
UNII: 5IO1HZP7ZN
EC Number: 252-220-3
Nikkaji: J208.913K

物性

構造計算による物性

XLogP: 0.7
極性表面積: 28.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 132

実験および物理化学的性質

LogP0.74

Dissociation Constants8.9

物理化学的性質

融点: 92 · 92-94
沸点: 120 · 120-122 °C/2 mmHg (lit.)
比重(密度): 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.595(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム、メタノールに可溶。
外見: 液体
酸解離定数(Pka): 8.63 · 8.63±0.10(Predicted)
色: 無色透明～黄色
水溶解度: 500 g/L · >500g/L (20℃)
BRN: 140423 · 140423
InChI: 1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N
SMILES: C1CN(CCN1)c2ccccn2
CAS データベース: 34803 · 34803-66-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-(2-Pyridyl)piperazine(34803-66-2)

化学的性質

化学的特性clear colourless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (13.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 10 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 (13.7%)

安全データ

F: 10-34
wgk: 3
ridadr: 2735
hs_code: 29339900
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成試薬。

使用1-(2-Pyridyl)piperazine is a compound that belongs to a class of selective α2-adrenoceptor antagonists. 1-(2-Pyridyl)piperazine shows sympatholytic activity. 1-(2-Pyridyl)piperazine is also a metaboli te of Azaperone (A802200).

一般的な説明1-(2-Pyridyl)piperazine is a piperazine derivative.