1-シクロプロピルピペラジン

1-Cyclopropylpiperazine

HCID 4742004CAS 20327-23-5

部分構造検索類似構造を探す

基本情報

標準SMILES: C1CN(C2CC2)CCN1
InChIKey: HNZJIWIXRPBFAN-UHFFFAOYSA-N
分子式: C7H14N2
平均分子量: 126.2 g/mol
単同位体質量: 126.11569845

名称と識別子

優先名称: 1-Cyclopropylpiperazine
IUPAC: 1-cyclopropylpiperazine
現地名: 1-シクロプロピルピペラジン
英語名: 1-Cyclopropylpiperazine
分子式: C7H14N2
分子量: 126.2

名称と別名

1-Cyclopropylpiperazine20327-23-5DTXSID20406303RefChem:229876DTXCID30357155807-993-7Piperazine, 1-cyclopropyl-MFCD062548051-CYCLOPROPYL-PIPERAZINEcyclopropyl piperazineN-CYCLOPROPYLPIPERAZINE(Piperazin-1-yl)cyclopropane

名称をさらに表示

1-シクロプロピルピペラジン1-Cyclopropylpiperazine >(Piperazin-1-yl)cyclopropane1-(Cyclopropyl Phenyl)Piperazine1-Cyclopropylpiperazine - [C14363]1-Cyclopropylpiperazine ISO 9001：2015 REACH

cyclopropylpiperazinecyclopropylpiper-azinen-cyclopropyl-piperazineN-cyclopropyl piperazinePiperazine,1-cyclopropyl-SCHEMBL63548SCHEMBL188355SCHEMBL894571

データベース識別子

CAS: 20327-23-5
PubChem CID: 4742004
DTXSID: DTXSID20406303
EC Number: 807-993-7

物性

構造計算による物性

XLogP: 0.2
極性表面積: 15.3 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: 9
形式電荷: 0
複雑度: 93.1

物理化学的性質

沸点: 43 °C/7mm · 43°C/7mm
比重(密度): 0.94 · 0.94
屈折率: 1.4804 · 1.4804
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 9.23 · 9.23±0.10(Predicted)
色: Colorless to Light yellow
InChI: InChI=1S/C7H14N2/c1-2-7(1)9-5-3-8-4-6-9/h7-8H,1-6H2
InChIKey: HNZJIWIXRPBFAN-UHFFFAOYSA-N
SMILES: N1(C2CC2)CCNCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (60%)

安全データ

ridadr: 3267
hs_code: 2933599590
消防法: 危-4-3-III
hazard_code: Xi
hazard_class: 8
packing_group: Ⅲ

化学と産業

応用分野 · 1 件

使用1-cyclopropylpiperazine is a piperazine derivative known in the literature by synonyms such as N-cyclopropylpiperazine and 4-cyclopropylpiperazine. It has been used in the preparation of some tri- and tetrasubstituted ureas with histamine H3 antagonist receptor activity, 3-amido-4- anilinoquinolines series as CSF-1R kinase inhibitors, for the synthesis of cyclopropyl amines as modulators of the histamine H3 receptor, sulfonamide compounds as cysteine protease inhibitors, N-oxides as antibacterial agents and in the treatment of the disease caused by helicobacter infection[1].