1-[(4-ピリジル)メチル]ピペラジン

1-((Pyridin-4-yl)methyl)piperazine

HCID 808715CAS 62089-74-1

部分構造検索類似構造を探す

基本情報

標準SMILES: c1cc(CN2CCNCC2)ccn1
InChIKey: XZYLSJPLCLKCMR-UHFFFAOYSA-N
分子式: C10H15N3
平均分子量: 177.25 g/mol
単同位体質量: 177.12659748

名称と識別子

優先名称: 1-((Pyridin-4-yl)methyl)piperazine
IUPAC: 1-(pyridin-4-ylmethyl)piperazine
現地名: 1-[(4-ピリジル)メチル]ピペラジン
英語名: 1-(4-Pyridylmethyl)piperazine
分子式: C10H15N3
分子量: 177.25

名称と別名

1-[(pyridin-4-yl)methyl]piperazine1-((pyridin-4-yl)methyl)piperazineRefChem:418907671-476-01-(pyridin-4-ylmethyl)piperazine62089-74-11-(4-pyridylmethyl)piperazine(4-Pyridylmethyl)piperazineMFCD013208921-(4-pyridinylmethyl)-piperazine1-(4-pyridinylmethyl)piperazine1-[(4-Pyridyl)methyl]piperazine

名称をさらに表示

1-[(4-ピリジル)メチル]ピペラジン1-(ピリジン-4-イルメチル)ピペラジン1-(4-ピリジルメチル)ピペラジンAKOS B004019AKOS BBS-00002872BUTTPARK 82\12-10ART-CHEM-BB B004019RARECHEM AH CK 0192TIMTEC-BB SBB003770Pyridylmethylpiperazine

1-Pyridin-4-ylmethyl-piperazineF2158-0093Piperazine, 1-(4-pyridinylmethyl)-1-(4-PYRIDYLMETHYL)-PIPERAZINEPiperazine,1-(4-pyridinylmethyl)-Oprea1_553077Oprea1_832933SCHEMBL209327

データベース識別子

CAS: 62089-74-1
PubChem CID: 808715
DTXSID: DTXSID20355605
EC Number: 671-476-0

物性

構造計算による物性

XLogP: 0
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: 2
重原子数: 13
形式電荷: 0
複雑度: 137

物理化学的性質

沸点: 68 °C · 68°C 0,15mm
比重(密度): 1.073 · 1.073
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 9.01 · 9.01±0.10(Predicted)
色: Clear Colourless to Pale Yellow
CAS データベース: 62089 · 62089-74-1(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, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.