1-(3-吡啶基)哌嗪

1-(Pyridin-3-yl)piperazine

HCID 437234CAS 67980-77-2

子结构检索查找相似结构

基本信息

标准SMILES: c1cncc(N2CCNCC2)c1
InChIKey: DNDJHEWLYGJJCY-UHFFFAOYSA-N
分子式: C9H13N3
平均分子量: 163.22 g/mol
单同位素质量: 163.11094742

名称与标识

首选名称: 1-(Pyridin-3-yl)piperazine
IUPAC: 1-pyridin-3-ylpiperazine
中文名: 1-(3-吡啶基)哌嗪
英文名: 1-(3-Pyridinyl)piperazine
分子式: C9H13N3
分子量: 163.22

名称与别名

1-(pyridin-3-yl)piperazineRefChem:428558674-794-867980-77-21-Pyridin-3-yl-piperazine1-(3-pyridinyl)piperazine1-pyridin-3-ylpiperazine1-(3-pyridyl)piperazineMFCD06409182PIPERAZINE, 1-(3-PYRIDINYL)-3-pyridylpiperazine67980-77-2(free base)

展开更多名称

1-(3-吡啶基)哌嗪1-(吡啶-3-基)哌嗪1-吡啶-3-基哌嗪 2HBRCHEMBRDG-BB 40042111-pyridin-3-ylpiperazine 2HBr4-[(Diethylamino)methyl]-4-piperidinol1-pyridin-3-ylpiperazine(SALTDATA: 2HBr)

BUTTPARK 82\08-043-piperazinylpyridine1-pyrid-3-ylpiperazine3-piperazin-4-ylpyridineN-(3-Pyridyl)piperazine1-(pyrid-3-yl)piperazine1-pyridin-3-yl piperazineSCHEMBL5109

数据库标识

CAS: 67980-77-2
PubChem CID: 437234
DTXSID: DTXSID00331321
ChEMBL: CHEMBL1180399
EC Number: 674-794-8
Nikkaji: J931.352D

性质

结构计算性质

XLogP: 0.3
极性表面积: 28.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 132

物理化学性质

熔点: 48 · 48-52°C
沸点: 314.4 · 314.4±22.0 °C(Predicted)
密度: 1.081 · 1.081±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C(protect from light)
酸度系数(pKa): 8.7 · 8.70±0.10(Predicted)
形态: powder
外观: 52 °C · Off-white to light yellow 52°C Liquid
InChI: 1S/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
InChIKey: DNDJHEWLYGJJCY-UHFFFAOYSA-N
SMILES: N1(C2=CN=CC=C2)CCNCC1

安全与法规

GHS分类

GHS Classification · 4 条

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: WGK 3
存储类别: 11 - Combustible Solids
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3

化学与工业

上下游产品信息

上游原料

帕布昔利布杂质28 3-溴吡啶 3-氨基吡啶叔丁醇钠哌嗪三叔丁基膦双（2-氯乙基）胺盐酸盐

供应商50 家

上海康恩博医药科技有限公司17510465506 · [email protected]

广州诚创生物科技有限公司18027266590 · [email protected]

天津长江化学有限公司19129375004; 15321929114 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

关联笔记

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