1-(环己基羰基)哌嗪

1-(Cyclohexylcarbonyl)piperazine

HCID 3437502CAS 27561-62-2

子结构检索查找相似结构

基本信息

标准SMILES: O=C(C1CCCCC1)N1CCNCC1
InChIKey: ZSZROXCAFYZNHE-UHFFFAOYSA-N
分子式: C11H20N2O
平均分子量: 196.29 g/mol
单同位素质量: 196.15756326

名称与标识

首选名称: 1-(Cyclohexylcarbonyl)piperazine
IUPAC: cyclohexyl(piperazin-1-yl)methanone
中文名: 1-(环己基羰基)哌嗪
英文名: 1-(Cyclohexylcarbonyl)piperazine
分子式: C11H20N2O
分子量: 196.29

名称与别名

27561-62-21-(Cyclohexylcarbonyl)piperazineDTXSID20392479RefChem:226405DTXCID20343340625-296-4cyclohexyl(piperazin-1-yl)methanone1-cyclohexanecarbonylpiperazineMethanone, cyclohexyl-1-piperazinyl-MFCD06798113SCHEMBL930742N-(Cyclohexylcarbonyl)piperazine

展开更多名称

1-环丙酰基哌嗪1-环己烷羰基哌嗪1-(环己基羰基)哌嗪环己基-1-哌嗪基甲酮1-(环己基羰基)哌嗪,97%Cyclohexyl-1-piperazinylmethanone1-(Cyclohexylcarbonyl)piperazine 97%1-(CYCLOHEXYLCARBONYL)PIPERAZINE 976,6'-Bis(trimethylsilyl)-2,2'-bipyridine1-(Cyclohexylcarbonyl)piperazine≥ 97%(GC)1-(Cyclohexylcarbonyl)piperazine, 97% white to brown solid

1-(Cyclohexylcarbonyl)piperazine, 97%DS-12938C3377CS-0124436EN300-56915Maybridge1_006754cyclohexyl-piperazin-1-yl-methanone1-(CYCLOHEXYLCARBONYL)PIPERAZINE97

数据库标识

CAS: 27561-62-2
PubChem CID: 3437502
DTXSID: DTXSID20392479
EC Number: 625-296-4
Nikkaji: J2.027.960E

性质

结构计算性质

XLogP: 1.1
极性表面积: 32.3 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: 193

物理化学性质

熔点: 84 · 84-89 °C (lit.)
沸点: 350.5 · 350.5±35.0 °C(Predicted)
密度: 1.047 · 1.047±0.06 g/cm3(Predicted)
储存条件: Keep in dark place,Inert atmosphere,Room temperature
溶解度: soluble in Methanol
形态: Solid
酸度系数(pKa): 8.47 · 8.47±0.10(Predicted)
颜色: White to brown
InChI: InChI=1S/C11H20N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h10,12H,1-9H2
InChIKey: ZSZROXCAFYZNHE-UHFFFAOYSA-N
SMILES: C(C1CCCCC1)(N1CCNCC1)=O

安全与法规

GHS分类

GHS Classification · 4 条

Danger

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

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.