(1-シクロヘキシメチル)ピペラジン

1-(Cyclohexylmethyl)piperazine

HCID 2735885

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 57184-23-3
標準SMILES: C1CCC(CN2CCNCC2)CC1
InChIKey: LRPGNFROBDUREU-UHFFFAOYSA-N
分子式: C11H22N2
平均分子量: 182.31 g/mol
単同位体質量: 182.1782987

名称と識別子

優先名称: 1-(Cyclohexylmethyl)piperazine
IUPAC: 1-(cyclohexylmethyl)piperazine
現地名: (1-シクロヘキシメチル)ピペラジン
英語名: 1-(CYCLOHEXYLMETHYL)PIPERAZINE
分子式: C11H22N2
分子量: 182.31

名称と別名

1-(Cyclohexylmethyl)piperazine57184-23-3DTXSID60370998RefChem:226411DTXCID00322032625-574-5(1-Cyclohexylmethyl)piperazineMFCD010752371-cyclohexylmethylpiperazine(cyclohexylmethyl)piperazinePiperazine, 1-(cyclohexylmethyl)-1-cyclohexylmethyl-piperazine

名称をさらに表示

(1-シクロヘキシメチル)ピペラジン1-(シクロヘキシルメチル)ピペラジンCyclohexylmethylpiperazineN-(Cyclohexylmethyl)piperazine1-(Cyclohexylmethyl)piperazine97%1-(Cyclohexylmethyl)piperazine 97%1-(CYCLOHEXYLMETHYL)PIPERAZINE ISO 9001：2015 REACH

1-cyclohexylmethyl piperazineSCHEMBL42121SCHEMBL508979(1-cyclohexyl-methyl)piperazineCyclohexylmethylpiperazine; 97%LRPGNFROBDUREU-UHFFFAOYSA-NSBB0561271-(Cyclohexylmethyl)piperazine, 97%

データベース識別子

CAS: 57184-23-3
PubChem CID: 2735885
DTXSID: DTXSID60370998
EC Number: 625-574-5

物性

構造計算による物性

XLogP: 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: 2
重原子数: 13
形式電荷: 0
複雑度: 135

物理化学的性質

沸点: 230 · 230-231 °C(lit.)
比重(密度): 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4950(lit.)
闪点: 190 °F · 190 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: 液体
酸解離定数(Pka): 9.26 · 9.26±0.10(Predicted)
色: 無色
CAS データベース: 57184 · 57184-23-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 42 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 2933599590
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36

化学と産業

応用分野

使用1-(Cyclohexylmethyl)piperazine is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.