1-(5-Bromopyridin-3-yl)-4-methylpiperazine

HCID 53485314CAS 1130759-48-6

基本情報

標準SMILES: CN1CCN(c2cncc(Br)c2)CC1
InChIKey: OJCUHUIYERGNRZ-UHFFFAOYSA-N
分子式: C10H14BrN3
平均分子量: 256.14 g/mol
単同位体質量: 255.03710955

名称と識別子

優先名称: 1-(5-Bromopyridin-3-yl)-4-methylpiperazine
IUPAC: 1-(5-bromo-3-pyridinyl)-4-methylpiperazine
英語名: 1-(5-bromopyridin-3-yl)-4-methylpiperazine
分子式: C10H14BrN3
分子量: 256.14

名称と別名

1-(5-Bromopyridin-3-yl)-4-methylpiperazine1130759-48-6DTXSID50704506RefChem:225695DTXCID80655254973-575-71-(5-Bromo-3-pyridinyl)-4-methylpiperazineMFCD131816643-BROMO-5-(N-METHYLPIPERAZIN-1-YL)PYRIDINE1-(5-bromo-pyridin-3-yl)-4-methyl-piperazineSCHEMBL2257074OJCUHUIYERGNRZ-UHFFFAOYSA-N

名称をさらに表示

Piperazine, 1-(5-bromo-3-pyridinyl)-4-methyl-1-(5-Bromopyridin-3-yl)-4-methylpiperazine - [B93520]

AKOS015946327MB12372CS-40589SY468333DB-0602661-(5-bromo-3-pyridyl)-4-methyl-piperazine1-(5-bromopridine-3-yl)-4-methylpiperazineCS-0325226

データベース識別子

CAS: 1130759-48-6
PubChem CID: 53485314
DTXSID: DTXSID50704506
EC Number: 973-575-7

物性

構造計算による物性

XLogP: 1.5
極性表面積: 19.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 180

物理化学的性質

沸点: 341.1 · 341.1±42.0 °C(Predicted)
比重(密度): 1.406 · 1.406±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 7.24 · 7.24±0.42(Predicted)

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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.