1-(2-吡啶-2-基乙基)哌嗪

N,N-dimethyl-2-(piperazin-1-yl)acetamide

HCID 2758642CAS 39890-43-2

子结构检索查找相似结构

基本信息

标准SMILES: CN(C)C(=O)CN1CCNCC1
InChIKey: JJEMPZXXGBIJIX-UHFFFAOYSA-N
分子式: C8H17N3O
平均分子量: 171.24 g/mol
单同位素质量: 171.13716216

名称与标识

首选名称: N,N-dimethyl-2-(piperazin-1-yl)acetamide
IUPAC: N,N-dimethyl-2-piperazin-1-ylacetamide
中文名: 1-(2-吡啶-2-基乙基)哌嗪
英文名: N,N-Dimethyl-2-piperazin-1-yl-acetamide
分子式: C8H17N3O
分子量: 171.24

名称与别名

N,N-dimethyl-2-(piperazin-1-yl)acetamideRefChem:822431673-693-639890-43-2N,N-dimethyl-2-piperazin-1-yl-acetamideN,N-dimethyl-2-piperazin-1-ylacetamide1-Piperazineacetamide, N,N-dimethyl-MFCD01075232N,N-dimethyl-2-(1-piperazinyl)acetamideN,N-Dimethyl-1-piperazineacetamideEN300-12361N,N-dimethyl-2-piperazinylacetamide

展开更多名称

(N,N-二甲胺羰酰甲基)哌嗪N,N-二甲基-1-哌嗪乙酰胺1-(2-吡啶-2-基乙基)哌嗪N,N-二甲基-2-哌嗪-1-乙酰胺N,N-二甲基-2-哌嗪-1-基-乙酰胺N,N-二甲基-2-哌嗪-1-YL-乙酰胺Dimethyl-N,N-amideacetic acid piperazineN,N-Dimethyl-2-(piperazin-1-yl)acetamide-97%N,N-Dimethyl-2-piperazin-1-yl-acetamide ,93%1-Piperazineacetamide,N,N-dimethyl-(6CI,9CI)

N,N-DIMETHYLAMIDE CARBONYLMETHYL PIPERAZINEPiperazine acetic acid N,N-dimethylamideN,N-dimethyl-2-piperazine-1-yl-acetamideSCHEMBL5501SCHEMBL5863PIPERAZINO-ACETIC ACID-N,N-DIMETHYLAMIDE(N,N-DIMETHYLAMIDECARBONYLMETHYL)PIPERAZINESCHEMBL1819295

数据库标识

CAS: 39890-43-2
PubChem CID: 2758642
DTXSID: DTXSID50374425
EC Number: 673-693-6

性质

结构计算性质

XLogP: -0.9
极性表面积: 35.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 152

物理化学性质

沸点: 105 · 105-109°C 0,2mm
密度: 1.016 · 1.016±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C
形态: solid
酸度系数(pKa): 8.98 · 8.98±0.10(Predicted)
颜色: Yellow
CAS 数据库: 39890 · 39890-43-2(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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.