1-(3-メチル-2-ピリジニル)ピペラジン

1-(3-Methyl-2-pyridinyl)piperazine

HCID 2760057

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 104396-10-3
標準SMILES: Cc1cccnc1N1CCNCC1
InChIKey: VVBVRZMTWMATNG-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-(3-Methyl-2-pyridinyl)piperazine
IUPAC: 1-(3-methyl-2-pyridinyl)piperazine
現地名: 1-(3-メチル-2-ピリジニル)ピペラジン
英語名: Piperazine, 1-(3-methyl-2-pyridinyl)- (9CI)
分子式: C10H15N3
分子量: 177.25

名称と別名

104396-10-31-(3-methyl-2-pyridinyl)piperazineRefChem:424017812-316-31-(3-methylpyridin-2-yl)piperazine111960-11-31-(3-Methyl-pyridin-2-yl)-piperazineMFCD03412117Piperazine, 1-(3-methyl-2-pyridinyl)- (9CI)Piperazine, 1-(3-methyl-2-pyridinyl)-1-(3-Methyl-2-pyridyl)-(6CI)piperazine; 1-(3-Methylpyridin-2-yl)piperazine;1-(3-methylpyridin-2-yl)-piperazine

名称をさらに表示

1-(3-メチル-2-ピリジニル)ピペラジン1-(3-Methylpyridin-2-yl)3-Methyl-2-(piperazin-1-yl)pyridine1-(3-Methyl-pyridin-2-yl)-piperazin1-(3-Methyl-2-pyridinyl)piperazine 3HCl1-(3-methylpyridin-2-yl)piperazine trihydrochloride1-(3-Methyl-2-pyridinyl)piperazine trihydrochloride1-(3-methylpyridin-2-yl)piperazine(SALTDATA: 0.12H2O)

SCHEMBL615931CHEMBL4587124DTXSID90920622VVBVRZMTWMATNG-UHFFFAOYSA-N1-(3-methyl-2-pyridyl)piperazineEEA39610GS07661-(3-methyl-pyridin-2-yl)piperazine

データベース識別子

CAS: 104396-10-3、111960-11-3
PubChem CID: 2760057
DTXSID: DTXSID90920622
ChEMBL: CHEMBL4587124
EC Number: 673-025-3、812-316-3

物性

構造計算による物性

XLogP: 1
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: 13
形式電荷: 0
複雑度: 154

物理化学的性質

沸点: 328.6 · 328.6±37.0 °C(Predicted)
比重(密度): 1.059 · 1.059±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Methanol
外見: liquid
酸解離定数(Pka): 8.71 · 8.71±0.29(Predicted)
色: Colourless

安全と法規制

GHS分類

GHS Classification · 6 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)

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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]