1-アセチルピペラジン

1-Acetylpiperazine

HCID 83795CAS 13889-98-0
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(=O)N1CCNCC1
InChIKey
PKDPUENCROCRCH-UHFFFAOYSA-N
分子式
C6H12N2O
平均分子量
128.17 g/mol
単同位体質量
128.09496301

名称と識別子

優先名称
1-Acetylpiperazine
IUPAC
1-piperazin-1-ylethanone
現地名
1-アセチルピペラジン
英語名
1-Acetylpiperazine
分子式
C6H12N2O
分子量
128.17

名称と別名

1-Acetylpiperazine13889-98-0EINECS 237-659-0DTXSID80160833NSC 39649RefChem:429034DTXCID1083324237-659-0N-Acetylpiperazine1-(piperazin-1-yl)ethan-1-one1-(piperazin-1-yl)ethanone1-piperazin-1-ylethanone
名称をさらに表示
1-アセチルピペラジン1-ピペラジノエタノンN－アセチルピペラジンN‐アセチルピペラジンN-アセチルピペラジン, 99%1-(ピペラジン-1-イル)エタン-1-オン1-(1-ピペラジニル)エタノン1-AcetyLAKOS BB-5737N-aetylpiperazineN-ACETY PIPERAZINEn-acetyl ptperazine1-Piperazinoethanone
Ethanone, 1-(1-piperazinyl)-Piperazine, 1-acetyl-MFCD00058676acetylpiperazine1-piperazin-1-yl-ethanoneA64RRE6QT5NSC-39649n-acetyl piperazine

データベース識別子

CAS
13889-98-0
PubChem CID
83795
DTXSID
DTXSID80160833
ChEMBL
CHEMBL2448844
ChEBI
CHEBI:194598
UNII
A64RRE6QT5
EC Number
237-659-0
Nikkaji
J280.364J

物性

構造計算による物性

XLogP
-0.9
極性表面積
32.3 Ų
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
0
重原子数
9

実験および物理化学的性質

Dissociation Constants7.9

物理化学的性質

融点
31 · 31-34 °C (lit.)
沸点
127 °C · 127 °C
比重(密度)
1.0754 · 1.0754 (rough estimate)
屈折率
1.488 · 1.4880 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性clear light yellow liquid after melting

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (17.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 63 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (98.4%)；STOT SE 3 (17.5%)

安全データ

F
3-10-34
wgk
3
hs_code
29339900
risk_code
36/38-36/37/38
hazard_code
Xi
hazard_note
Irritant

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用1-Acetylpiperazine may be used in the synthesis of series of 7-alkoxyl substituted indolizinoquinoline-5,12-dione derivatives and 2-substituted-N-(naphth-1-ylmethyl)-pyrimidin-4-amines and 2-substituted-N-benzhydrylpyrimidin-4-amines.

一般的な説明Infrared and Raman spectra of 1-acetylpiperazine have been recorded in the region of 4000-40cm-1.

調製方法 · 1 件

純化方法Purify 1-acetylpiperazine by recrystallisation from 40% aqueous EtOH or from EtOH/Et2O. It is an irritant, and is hygroscopic. The hydrochloride has m 191o (from EtOH), and the tosylate salt has m 148-149o (from EtOH/EtOAc, 1:16). The free base, however, cannot be isolated by basifying the tosylate salt and extraction with CH2Cl2. [Jacobi Chem Ber 66 113 1933, Mosher et al. J Am Chem Soc 75 4949 1953, Hall J Am Chem Soc 78 2570 1956, Beilstein 23 IV 1786.]

上流・下流製品情報

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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