1-[(3-ピリジル)メチル]ピペラジン

1-[(Pyridin-3-yl)methyl]piperazine

HCID 156975

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 39244-80-9
標準SMILES: c1cncc(CN2CCNCC2)c1
InChIKey: UNGUQQBXDOAOQO-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-3-yl)methyl]piperazine
IUPAC: 1-(pyridin-3-ylmethyl)piperazine
現地名: 1-[(3-ピリジル)メチル]ピペラジン
英語名: 1-PYRIDIN-3-YLMETHYL-PIPERAZINE
分子式: C10H15N3
分子量: 177.25

名称と別名

1-[(pyridin-3-yl)methyl]piperazineDTXSID909600081-((pyridin-3-yl)methyl)piperazineRefChem:428889DTXCID10206778671-475-539244-80-91-(pyridin-3-ylmethyl)piperazine1-(3-pyridylmethyl)piperazine1-Pyridin-3-ylmethyl-piperazine1-[(3-Pyridyl)methyl]piperazineMFCD01862552

名称をさらに表示

1-[(3-ピリジル)メチル]ピペラジンAKOS B004022BUTTPARK 33\12-06ART-CHEM-BB B004022RARECHEM AH CK 0191TIMTEC-BB SBB0037721-(3-Picolyl)piperazine1-(3-pyridinylmethyl)piperazine

(3-pyridylmethyl)piperazinePIPERAZINE, 1-(3-PYRIDINYLMETHYL)-1-(pyridin-3-yl-methyl)-piperazine1-[(3-pyridyl)-methyl)-piperazine1-[(3-pyridyl)-methyl]-piperazineF2158-0092Oprea1_494141Oprea1_637526

データベース識別子

CAS: 39244-80-9
PubChem CID: 156975
DTXSID: DTXSID90960008
EC Number: 671-475-5

物性

構造計算による物性

XLogP: -0.2
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: 143

物理化学的性質

沸点: 84 °C · 84 °C
比重(密度): 1.073 · 1.073
貯蔵温度: 2 · 2-8°C
外見: liquid
酸解離定数(Pka): 9.04 · 9.04±0.10(Predicted)
色: Colourless to pale yellow
CAS データベース: 39244 · 39244-80-9(CAS DataBase Reference)

化学的性質

化学的特性Colorless to yellow to orange liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.