1-(シクロプロピルカルボニル)ピペラジン HYDROCHLORIDE

1-(Cyclopropylcarbonyl)piperazine

HCID 2064235

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 59878-57-8
標準SMILES: O=C(C1CC1)N1CCNCC1
InChIKey: KIALFUYSJAAJSU-UHFFFAOYSA-N
分子式: C8H14N2O
平均分子量: 154.21 g/mol
単同位体質量: 154.11061307

名称と識別子

優先名称: 1-(Cyclopropylcarbonyl)piperazine
IUPAC: cyclopropyl(piperazin-1-yl)methanone
現地名: 1-(シクロプロピルカルボニル)ピペラジン HYDROCHLORIDE
英語名: 1-(CYCLOPROPANECARBONYL)PIPERAZINE 97
分子式: C8H14N2O
分子量: 154.21

名称と別名

1-(Cyclopropylcarbonyl)piperazineRefChem:427575626-499-059878-57-8cyclopropyl(piperazin-1-yl)methanone1-cyclopropanecarbonylpiperazineCyclopropyl-piperazin-1-yl-methanoneMFCD06369645Piperazine, 1-(cyclopropylcarbonyl)-1-cyclopropylcarbonylpiperazineCHEMBL3329525N-(Cyclopropylcarbonyl)piperazine

名称をさらに表示

1-(シクロプロピルカルボニル)ピペラジン HYDROCHLORIDE1-(シクロプロピルカルボニル)ピペラジンCyclopropyl(piperazin-1-yl)methan-1-one hydrochlorideyl]-benzonitrileCyclopropanecarbonyl piperazine1-(Cyclopropylcarbonyl)-piperazin1-(Cyclopropanecarbonyl)plperazineclopropyl(piperazin-1-yl)methanone

Cyclopropyl-1-piperazinylmethanoneCyclopropyl(1-piperazinyl)methanoneMethanone, cyclopropyl-1-piperazinyl-1-CyclopropanoylpiperazineSCHEMBL4981SCHEMBL8314P2E5L38YCGcyclopropyl piperazinyl ketone

データベース識別子

CAS: 59878-57-8
PubChem CID: 2064235
DTXSID: DTXSID30975277
ChEMBL: CHEMBL3329525
UNII: P2E5L38YCG
EC Number: 626-499-0
Nikkaji: J2.910.527H

物性

構造計算による物性

XLogP: -0.5
極性表面積: 32.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 159

物理化学的性質

沸点: 120 °C/0.15 · 120 °C/0.15 mmHg
比重(密度): 1.087 g/mL · 1.087 g/mL at 25 °C
屈折率: 20 · n20/D 1.524
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 8.47 · 8.47±0.10(Predicted)
外見: 液体
色: 無色～淡褐色
InChI: InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
InChIKey: WIHDAPMHNYYTOA-UHFFFAOYSA-N
SMILES: C(C1CC1)(N1CCNCC1)=O

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 6.2% (3 of 48) of reports.

Danger

H315 (93.8%): 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 48 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.