1-(3-フルオロフェニル)ピペラジン

1-(3-Fluorophenyl)piperazine

HCID 77418CAS 3801-89-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1cccc(N2CCNCC2)c1
InChIKey: KIFCSMQTGWVMOD-UHFFFAOYSA-N
分子式: C10H13FN2
平均分子量: 180.22 g/mol
単同位体質量: 180.10627664

名称と識別子

優先名称: 1-(3-Fluorophenyl)piperazine
IUPAC: 1-(3-fluorophenyl)piperazine
現地名: 1-(3-フルオロフェニル)ピペラジン
英語名: 1-(3-Fluorophenyl)piperazine
分子式: C10H13FN2
分子量: 180.22

名称と別名

1-(3-Fluorophenyl)piperazine3801-89-6Piperazine, 1-(3-fluorophenyl)-B46UBR8BEEEINECS 223-271-9N-(3-Fluorophenyl)piperazineDTXSID401914261-(M-FLUOROPHENYL)PIPERAZINEPIPERAZINE, 1-(M-FLUOROPHENYL)-RefChem:423859DTXCID50113917223-271-9

名称をさらに表示

1-(3-フルオロフェニル)ピペラジン1-(3-Fluorophenyl)piperazine97%1-(3-Fluorophenyl)piperazine 97%1-(3-Fluorophenyl)piperazine ,98%

Piperazine,1-(3-fluorophenyl)-1-(3-fluorophenyl)-piperazineC10H13FN2MFCD03412122CHEMBL2697841-(3-Fluoro-phenyl)-piperazine3-fluorophenyl piperazineUNII-B46UBR8BEE

データベース識別子

CAS: 3801-89-6
PubChem CID: 77418
DTXSID: DTXSID40191426
ChEMBL: CHEMBL269784
UNII: B46UBR8BEE
EC Number: 223-271-9
Nikkaji: J217.688B

物性

構造計算による物性

XLogP: 1.2
極性表面積: 15.3 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: 13
形式電荷: 0
複雑度: 157

実験および物理化学的性質

DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

物理化学的性質

沸点: 88 · 88-91°C 0,2mm
比重(密度): 1.112 · 1.112±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 8.85 · 8.85±0.10(Predicted)
CAS データベース: 3801 · 3801-89-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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)

Aggregated GHS information provided per 3 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)

安全データ

risk_code: 20/21/22-36/37/38-52-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

応用分野

使用1-(3-Fluorophenyl)-piperazine is a Piperazine (P480100) derivative. Piperazine Dihydrochloride is an anthelmintic agent used in the treatment of parasitic worms in animals.