1-[(2-ピリジル)メチル]ピペラジン

1-[(Pyridin-2-yl)methyl]piperazine

HCID 808714CAS 55579-01-6

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(CN2CCNCC2)nc1
InChIKey: NATRYEXANYVWAW-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-2-yl)methyl]piperazine
IUPAC: 1-(pyridin-2-ylmethyl)piperazine
現地名: 1-[(2-ピリジル)メチル]ピペラジン
英語名: 1-PYRIDIN-2-YLMETHYL-PIPERAZINE
分子式: C10H15N3
分子量: 177.25

名称と別名

1-[(pyridin-2-yl)methyl]piperazine1-((pyridin-2-yl)methyl)piperazineRefChem:418896671-473-455579-01-61-(pyridin-2-ylmethyl)piperazine1-[(2-Pyridyl)methyl]piperazine1-Pyridin-2-ylmethyl-piperazine(2-Pyridylmethyl)piperazine1-(2-pyridylmethyl)piperazineMFCD018625511-(pyridin-2-yl-methyl)-piperazine

名称をさらに表示

1-[(2-ピリジル)メチル]ピペラジン1-(ピリジン-2-イルメチル)ピペラジンAKOS B004020BUTTPARK 36\08-66CHEMBRDG-BB 4101647ART-CHEM-BB B004020RARECHEM AH CK 0190TIMTEC-BB SBB003771

1-((2-Pyridyl)methyl)piperazineF2158-0091PIPERAZINE, 1-(2-PYRIDINYLMETHYL)-2-pyridylmethyl piperazineOprea1_154966Oprea1_366166SCHEMBL209471SCHEMBL1366172

データベース識別子

CAS: 55579-01-6
PubChem CID: 808714
DTXSID: DTXSID60355604
ChEMBL: CHEMBL1621936
EC Number: 671-473-4

物性

構造計算による物性

XLogP: 0.1
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: 2
重原子数: 13
形式電荷: 0
複雑度: 143

物理化学的性質

沸点: 91 · 91-93°C 0,4mm
比重(密度): 1.073 · 1.073±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: liquid
酸解離定数(Pka): 9 · 9.00±0.10(Predicted)
色: Colourless to pale yellow
InChI: InChI=1S/C10H15N3/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13/h1-4,11H,5-9H2
InChIKey: NATRYEXANYVWAW-UHFFFAOYSA-N
SMILES: N1(CC2=NC=CC=C2)CCNCC1
CAS データベース: 55579 · 55579-01-6(CAS DataBase Reference)

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.