4-エチルピペリジン

4-Ethylpiperidine

HCID 76704CAS 3230-23-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC1CCNCC1
InChIKey: KWHPWBXOLZTZMJ-UHFFFAOYSA-N
分子式: C7H15N
平均分子量: 113.2 g/mol
単同位体質量: 113.12044948

名称と識別子

優先名称: 4-Ethylpiperidine
IUPAC: 4-ethylpiperidine
現地名: 4-エチルピペリジン
英語名: 4-ethylpiperidine
分子式: C7H15N
分子量: 113.2

名称と別名

4-Ethylpiperidine3230-23-7EINECS 221-766-4DTXSID60186036NSC 211473RefChem:522887DTXCID70108527221-766-4Piperidine, 4-ethyl-4-Ethyl-piperidineMFCD01872520NSC-211473

名称をさらに表示

4-エチルピペリジン4-エチルピペリジン HYDROCHLORIDE4-Ethylpiperidine AldrichCPR4-ethylpiperidine(SALTDATA: FREE)

GDL85J4ENFSCHEMBL12614SCHEMBL60981SCHEMBL292165SCHEMBL3575484-Ethylpiperidine, AldrichCPRSCHEMBL4328788SCHEMBL16619685

データベース識別子

CAS: 3230-23-7
PubChem CID: 76704
DTXSID: DTXSID60186036
UNII: GDL85J4ENF
EC Number: 221-766-4
Nikkaji: J77.329H

物性

構造計算による物性

XLogP: 1.6
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: 1
重原子数: 8
形式電荷: 0
複雑度: 55

実験および物理化学的性質

Kovats Retention Index924

物理化学的性質

沸点: 131.98 °C · 131.98°C (estimate)
比重(密度): 0.8759 · 0.8759
屈折率: 1.4503 · 1.4503
貯蔵温度: 2 · 2-8°C(protect from light)
外見: solid
酸解離定数(Pka): 10.7 · 10.70±0.10(Predicted)
InChI: 1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKey: KWHPWBXOLZTZMJ-UHFFFAOYSA-N
SMILES: CCC1CCNCC1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 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.