CAS 69628-75-7 1-(1-Phenylethyl)piperazine (HCID 2737134)

基本情報

CAS: 69628-75-7
標準SMILES: CC(c1ccccc1)N1CCNCC1
InChIKey: PYBNQKSXWAIBKN-UHFFFAOYSA-N
分子式: C12H18N2
平均分子量: 190.28 g/mol
単同位体質量: 190.14699858

名称と識別子

優先名称: 1-(1-Phenylethyl)piperazine
IUPAC: 1-(1-phenylethyl)piperazine
現地名: 1-(1-フェニルエチル)ピペラジン
英語名: 1-(2-Phenylethyl)piperazine
分子式: C12H18N2
分子量: 190.28

名称と別名

1-(1-Phenylethyl)piperazine69628-75-7EINECS 274-057-7DTXSID50989730RefChem:73920DTXCID80893654274-057-7436099-96-61-(1-Phenylethyl)-piperazineMFCD00040738Piperazine,1-(1-phenylethyl)-, hydrochloride (1:1)759457-60-8

名称をさらに表示

1-(1-フェニルエチル)ピペラジン1-PHENETHYLPIPERAZINEAKOS BBS-00003639RARECHEM AH CK 0154Phenylethylpiperazine1-(2-Phenylethyl)piperazineN-(2-PHENYLETHYL)PIPERAZINEPiperazine, 1-(1-phenylethyl)-1-(1-Phenylethyl)piperazine 97%[1-(Piperazin-1-yl)ethyl]benzene1-(1-Phenylethyl)-piperazine ,98%

(phenylethyl)piperazine1-[(1R)-Phenylethyl]piperazine773848-51-41-(1-Phenyl-ethyl)-piperazine1-(1-phenylethyl)piperizineSCHEMBL427901-(1-phenylethyl) piperizineSCHEMBL1855360

データベース識別子

CAS: 69628-75-7
PubChem CID: 2737134
DTXSID: DTXSID50989730
EC Number: 274-057-7
Nikkaji: J318.012C

物性

構造計算による物性

XLogP: 1.5
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: 2
重原子数: 14
形式電荷: 0
複雑度: 158

物理化学的性質

沸点: 276 °C · 276 °C(lit.)
比重(密度): 1.006 g/mL · >1.006 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.5430(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
酸解離定数(Pka): 9.11 · 9.11±0.10(Predicted)
色: Clear
InChI: 1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChIKey: PYBNQKSXWAIBKN-UHFFFAOYSA-N
SMILES: CC(N1CCNCC1)c2ccccc2
CAS データベース: 69628 · 69628-75-7(CAS DataBase Reference)

化学的性質

化学的特性Colorless to light yellow oily liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.