1-(シクロプロピルメチル)ピペラジン

1-(Cyclopropylmethyl)piperazine

HCID 965875

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 57184-25-5
標準SMILES: C1CN(CC2CC2)CCN1
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
分子式: C8H16N2
平均分子量: 140.23 g/mol
単同位体質量: 140.13134851

名称と識別子

優先名称: 1-(Cyclopropylmethyl)piperazine
IUPAC: 1-(cyclopropylmethyl)piperazine
現地名: 1-(シクロプロピルメチル)ピペラジン
英語名: 1-(CYCLOPROPYLMETHYL)PIPERAZINE
分子式: C8H16N2
分子量: 140.23

名称と別名

1-(Cyclopropylmethyl)piperazine57184-25-5DTXSID80359487RefChem:226440DTXCID10310541627-571-4MFCD00872053PIPERAZINE, 1-(CYCLOPROPYLMETHYL)-4-(cyclopropylmethyl)piperazine1-(Cyclopropylmethyl)-piperazine1-(Cyclopropylmethyl)piperazine, 97%SY310269

名称をさらに表示

1-(シクロプロピルメチル)ピペラジン1-(シクロプロピルメチル)ピペラジン, 97%Cyclopropylmethyl-piperazin-1-N-(Cyclopropylmethyl)piperazine1-(CYCLOPROPYLMETHYL)PIPERAZINE 97[(Piperazin-1-yl)methyl]cyclopropane1-(Cyclopropylmethyl)piperazine - [C13216]1-(cyclopropylmethyl)piperazine(SALTDATA: FREE)1-(CYCLOPROPYLMETHYL)PIPERAZINE 97 ISO 9001：2015 REACH1-(Cyclopropylmethyl)piperazine, 97% colorless to yellow liquid

(cyclopropylmethyl)piperazine4-(Cyclopropylmethyl)piperazine; N-(Cyclopropylmethyl)piperazine1-CyclopropylmethylpiperazineAMY5266BCP11899FT-06907274-(Cyclopropylmethyl)piperan-cyclopropylmethylpiperazine

データベース識別子

CAS: 57184-25-5
PubChem CID: 965875
DTXSID: DTXSID80359487
UNII: 43CFX85V36
EC Number: 627-571-4
Nikkaji: J526.839G

物性

構造計算による物性

XLogP: 0.4
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: 2
重原子数: 10
形式電荷: 0
複雑度: 104

物理化学的性質

沸点: 68 °C/3.5 · 68 °C/3.5 mmHg
比重(密度): 0.943 g/mL · 0.943 g/mL at 25 °C
屈折率: 20 · n20/D 1.489
闪点: 171 °F · 171 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 9.25 · 9.25±0.10(Predicted)
外見: liquid
色: Light brown
InChI: InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
SMILES: N1(CC2CC2)CCNCC1
CAS データベース: 57184 · 57184-25-5

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesEye Dam. 1 (100%)

安全データ

wgk: 2
ridadr: UN 1993 / PGIII
hs_code: 2933599590
risk_code: 41
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/39
Hazard Classifications: Eye Dam. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用1-(Cyclopropylmethyl)piperazine is a compound involved in the preparation of N-substituted piperazinopyridylsteroid derivatives as abiraterone analogs that inhibit growth and induce pro-apoptosis in human hormone-independent prostate cancer cell lines.