1-(2-ピリジン-4-イルエチル)ピペラジン

1-[2-(4-Pyridinyl)ethyl]piperazine

HCID 558685CAS 53345-16-7

部分構造検索類似構造を探す

基本情報

標準SMILES: c1cc(CCN2CCNCC2)ccn1
InChIKey: PXJMEKXBONLMNG-UHFFFAOYSA-N
分子式: C11H17N3
平均分子量: 191.27 g/mol
単同位体質量: 191.14224756

名称と識別子

優先名称: 1-[2-(4-Pyridinyl)ethyl]piperazine
IUPAC: 1-(2-pyridin-4-ylethyl)piperazine
現地名: 1-(2-ピリジン-4-イルエチル)ピペラジン
英語名: Piperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)
分子式: C11H17N3
分子量: 191.27

名称と別名

53345-16-71-[2-(4-Pyridinyl)ethyl]piperazine1-(2-(4-Pyridinyl)ethyl)piperazineRefChem:2230561-[2-(pyridin-4-yl)ethyl]piperazine1-(2-pyridin-4-ylethyl)piperazine1-(2-(Pyridin-4-yl)ethyl)piperazine1-(2-Pyridin-4-yl-ethyl)-piperazineMFCD030945841-(2-(4-pyridylethyl))piperazine1-[2-(4-pyridyl)ethyl]piperazinePiperazine, 1-[2-(4-pyridinyl)ethyl]- (9CI)

名称をさらに表示

1-(2-ピリジン-4-イルエチル)ピペラジン4-[2-(Piperazin-1-yl)ethyl]pyridinePiperazine, 1-[2-(4-pyridinyl)ethyl]-1-[2-(Pyridin-4-yl)ethyl]piperazine97%

1-(2-Pyridin-4-yl-ethyl)piperazine(2-(4-pyridyl)ethyl)piperazine1-[2-(4-pyridylethyl)]piperazine1-(2-(4-Pyridylethyl))-PiperazineSCHEMBL1935424SCHEMBL4576469DTXSID301296437ALBB-005748

データベース識別子

CAS: 53345-16-7
PubChem CID: 558685
DTXSID: DTXSID301296437
EC Number: 673-689-4

物性

構造計算による物性

XLogP: 0.5
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: 3
重原子数: 14
形式電荷: 0
複雑度: 149

物理化学的性質

沸点: 323.9 · 323.9±27.0 °C(Predicted)
比重(密度): 1.033 · 1.033±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.16 · 9.16±0.10(Predicted)

化学的性質

化学的特性White to light yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.