2-イソプロピルピペラジン

2-(Propan-2-yl)piperazine

HCID 558976CAS 84468-53-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C1CNCCN1
InChIKey: HBCSNWKQNPKIHK-UHFFFAOYSA-N
分子式: C7H16N2
平均分子量: 128.22 g/mol
単同位体質量: 128.13134852

名称と識別子

優先名称: 2-(Propan-2-yl)piperazine
IUPAC: 2-propan-2-ylpiperazine
現地名: 2-イソプロピルピペラジン
英語名: 2-Isopropyl-piperazine
分子式: C7H16N2
分子量: 128.22

名称と別名

84468-53-12-(PROPAN-2-YL)PIPERAZINERefChem:462016804-501-22-Isopropylpiperazine2-propan-2-ylpiperazineMFCD07373042(2R)-2-propan-2-ylpiperazine2-ISOPROPYL-PIPERAZINEracemic 2-isopropylpiperazineSCHEMBL193923SCHEMBL194131

名称をさらに表示

2-イソプロピルピペラジン2-ISOPROPYLPIPERAZINE-2HCl2-(1-Methylethyl)piperazinePiperazine, 2-(1-methylethyl)-2-Isopropylpiperazine dihydrochloride

F2147-0828SCHEMBL2911557AKOS006287262AB36138AB36140AB36142AT22713SY023931

データベース識別子

CAS: 84468-53-1
PubChem CID: 558976
EC Number: 804-501-2
Nikkaji: J1.428.039A

物性

構造計算による物性

XLogP: 0.5
極性表面積: 24.1 Å²
水素結合供与体数: 2
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: 81

物理化学的性質

沸点: 184.1 · 184.1±8.0 °C(Predicted)
比重(密度): 0.851 · 0.851±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 9.21 · 9.21±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.