N,N-ジメチル-2-ピペラジン-1-イル-アセトアミド

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

HCID 2758642CAS 39890-43-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)C(=O)CN1CCNCC1
InChIKey: JJEMPZXXGBIJIX-UHFFFAOYSA-N
分子式: C8H17N3O
平均分子量: 171.24 g/mol
単同位体質量: 171.13716216

名称と識別子

優先名称: N,N-dimethyl-2-(piperazin-1-yl)acetamide
IUPAC: N,N-dimethyl-2-piperazin-1-ylacetamide
現地名: N,N-ジメチル-2-ピペラジン-1-イル-アセトアミド
英語名: N,N-Dimethyl-2-piperazin-1-yl-acetamide
分子式: C8H17N3O
分子量: 171.24

名称と別名

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

名称をさらに表示

N,N-ジメチル-2-ピペラジン-1-イル-アセトアミド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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.9
極性表面積: 35.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 152

物理化学的性質

沸点: 105 · 105-109°C 0,2mm
比重(密度): 1.016 · 1.016±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 8.98 · 8.98±0.10(Predicted)
色: Yellow
CAS データベース: 39890 · 39890-43-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

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.