1-(6-Methoxypyridin-2-yl)piperazine

HCID 12200470CAS 51047-54-2

基本情報

標準SMILES: COc1cccc(N2CCNCC2)n1
InChIKey: OILYGSQXSLUZSY-UHFFFAOYSA-N
分子式: C10H15N3O
平均分子量: 193.25 g/mol
単同位体質量: 193.1215121

名称と識別子

優先名称: 1-(6-Methoxypyridin-2-yl)piperazine
IUPAC: 1-(6-methoxy-2-pyridinyl)piperazine
英語名: 1-(6-METHOXY-PYRIDIN-2-YL)-PIPERAZINE
分子式: C10H15N3O
分子量: 193.25

名称と別名

51047-54-21-(6-methoxypyridin-2-yl)piperazine1-(6-Methoxy-pyridin-2-yl)-piperazine1-(6-METHOXY-2-PYRIDYL)PIPERAZINE1-(6-methoxy-2-pyridinyl)piperazinePiperazine, 1-(6-methoxy-2-pyridinyl)-MFCD067388512-piperazino-6-methoxypyridineCHEMBL277929SCHEMBL2067367SCHEMBL2412819SCHEMBL3916764

名称をさらに表示

1-(6-METHOXY-2-PYRIDIL)PIPERAZINE

2-methoxy-6-piperazinylpyridine2-piperazino--6-methoxypyridineDTXSID90480155AKOS009463325AB28036ST081396CS-0303127H70752

データベース識別子

CAS: 51047-54-2
PubChem CID: 12200470
DTXSID: DTXSID90480155
ChEMBL: CHEMBL277929
EC Number: 676-436-6

物性

構造計算による物性

XLogP: 1
極性表面積: 37.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 171

物理化学的性質

沸点: 348.8 · 348.8±37.0 °C(Predicted)
比重(密度): 1.104 · 1.104±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 8.53 · 8.53±0.10(Predicted)
InChI: 1S/C10H15N3O/c1-14-10-4-2-3-9(12-10)13-7-5-11-6-8-13/h2-4,11H,5-8H2,1H3
InChIKey: OILYGSQXSLUZSY-UHFFFAOYSA-N

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.