1-(2,6-二甲基苯基)哌嗪

1-(2,6-Xylyl)piperazine

HCID 70538CAS 1012-91-5

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基本信息

标准SMILES: Cc1cccc(C)c1N1CCNCC1
InChIKey: JDVUSTNITSGJOH-UHFFFAOYSA-N
分子式: C12H18N2
平均分子量: 190.28 g/mol
单同位素质量: 190.14699858

名称与标识

首选名称: 1-(2,6-Xylyl)piperazine
IUPAC: 1-(2,6-dimethylphenyl)piperazine
中文名: 1-(2,6-二甲基苯基)哌嗪
英文名: 1-(2,6-Dimethylphenyl)piperazine
分子式: C12H18N2
分子量: 190.28

名称与别名

1-(2,6-dimethylphenyl)piperazine1012-91-51-(2,6-Xylyl)piperazineEINECS 213-791-4DTXSID70143776RefChem:420697DTXCID3066267213-791-4Piperazine, 1-(2,6-dimethylphenyl)-Piperazine, 1-(2,6-xylyl)-MFCD000380091-(2,6-dimethyl-phenyl)-piperazine

展开更多名称

1-(2,6-二甲苯)哌嗪1-(2,6-二甲基苯基)哌啶1-(2,6-二甲基苯基)哌嗪Dimethylphenylpiperazine1-(2,6-Dimethylphenyl)piperazine,90%1-(2,6-Dimethylphenyl)piperazine 97%

6FD6M9XAW2SCHEMBL336283SCHEMBL1448499BAA012914-(2,6-Dimethylphenyl) piperazineGS1417AKOS003884887FS-1658

数据库标识

CAS: 1012-91-5
PubChem CID: 70538
DTXSID: DTXSID70143776
UNII: 6FD6M9XAW2
EC Number: 213-791-4
Nikkaji: J217.131G

性质

结构计算性质

XLogP: 2.1
极性表面积: 15.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 165

物理化学性质

沸点: 92 °C · 92 °C
密度: 0.999 · 0.999±0.06 g/cm3(Predicted)
酸度系数(pKa): 8.96 · 8.96±0.10(Predicted)
CAS 数据库: 1012 · 1012-91-5(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

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