4-(3-フェニルプロピル)ピペリジン

4-(3-Phenylpropyl)piperidine

HCID 87678CAS 18495-82-4

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(CCCC2CCNCC2)cc1
InChIKey: HASRFXGIJALRRB-UHFFFAOYSA-N
分子式: C14H21N
平均分子量: 203.32 g/mol
単同位体質量: 203.16739967

名称と識別子

優先名称: 4-(3-Phenylpropyl)piperidine
IUPAC: 4-(3-phenylpropyl)piperidine
現地名: 4-(3-フェニルプロピル)ピペリジン
英語名: 4-(3-PHENYLPROPYL)PIPERIDINE
分子式: C14H21N
分子量: 203.32

名称と別名

4-(3-Phenylpropyl)piperidine18495-82-4EINECS 242-381-8DTXSID60171684RefChem:97167DTXCID3094175242-381-84-(3-Phenyl-propyl)-piperidinePiperidine, 4-(3-phenylpropyl)-MFCD000231524-(3-phenylpropyl)-piperidine4-phenylpropylpiperidine

名称をさらに表示

4-(3-フェニルプロピル)ピペリジン4-(3-フェニルプロピル)-ピペリジン4-(3-Phenylpropyl)piperidine>4-(gamma-Phenylpropyl)piperidine4-(3-Phenylpropan-1-yl)piperidine4-(3-PHENYL-PROPYL)-PIPERIDINE >98%4-(3-Phenylpropyl)Piperidine≥ 99.9% (titration)

SCHEMBL827344-(3-phenylpropyl) piperidineSCHEMBL2303549SCHEMBL152650484-(3-phenylprop-1-yl)piperidineAKOS004120135SB34612AS-60603

データベース識別子

CAS: 18495-82-4
PubChem CID: 87678
DTXSID: DTXSID60171684
EC Number: 242-381-8
Nikkaji: J222.222A

物性

構造計算による物性

XLogP: 3.6
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 155

物理化学的性質

沸点: 306.3 · 306.3±11.0 °C(Predicted)
比重(密度): 0 · 0,96 g/cm3
屈折率: 1.524 to · 1.5240 to 1.5280
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: clear liquid
酸解離定数(Pka): 10.67 · 10.67±0.10(Predicted)
色: Colorless to Light yellow
CAS データベース: 18495 · 18495-82-4(CAS DataBase Reference)

化学的性質

化学的特性Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 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.