1-シクロブチルピペラジン DIHYDROCHLORIDE

1-Cyclobutylpiperazine

HCID 4738602

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 132800-13-6
標準SMILES: C1CC(N2CCNCC2)C1
InChIKey: WJJKCJYVIICABH-UHFFFAOYSA-N
分子式: C8H16N2
平均分子量: 140.23 g/mol
単同位体質量: 140.13134852

名称と識別子

優先名称: 1-Cyclobutylpiperazine
IUPAC: 1-cyclobutylpiperazine
現地名: 1-シクロブチルピペラジン DIHYDROCHLORIDE
英語名: Piperazine, 1-cyclobutyl-
分子式: C8H16N2
分子量: 140.23

名称と別名

1-cyclobutylpiperazine132800-13-6DTXSID101314512RefChem:75476DTXCID501460585842-518-71-Cyclobutyl-piperazinePiperazine, 1-cyclobutyl-MFCD062548061-(Cyclobutyl)piperazineSCHEMBL64201SCHEMBL193442

名称をさらに表示

1-シクロブチルピペラジン DIHYDROCHLORIDE1-シクロブチルピペラジンN-cyc-Bu-piperazine1-Cyclobutylpiperazine 132800-13-6

SCHEMBL1481868SCHEMBL27468489SCHEMBL27638708SCHEMBL28903035WJJKCJYVIICABH-UHFFFAOYSA-NALBB-035339HFA80013AKOS003587303

データベース識別子

CAS: 132800-13-6
PubChem CID: 4738602
DTXSID: DTXSID101314512
EC Number: 842-518-7
Nikkaji: J3.052.829H

物性

構造計算による物性

XLogP: 0.5
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: 10
形式電荷: 0
複雑度: 104

物理化学的性質

沸点: 217 ℃ · 217℃
比重(密度): 1.014 · 1.014
闪点: 92 ℃ · 92℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 9.28 · 9.28±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.