4-ベンゾイルピペリジン塩酸塩

4-Benzoylpiperidine hydrochloride

HCID 2724437

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25519-80-6
標準SMILES: Cl.O=C(c1ccccc1)C1CCNCC1
InChIKey: NXYKIFZJQXOUJS-UHFFFAOYSA-N
分子式: C12H16ClNO
平均分子量: 225.71 g/mol
単同位体質量: 225.09204181

名称と識別子

優先名称: 4-Benzoylpiperidine hydrochloride
IUPAC: phenyl(piperidin-4-yl)methanone;hydrochloride
現地名: 4-ベンゾイルピペリジン塩酸塩
英語名: 4-Benzoylpiperidine hydrochloride
分子式: C12H16ClNO
分子量: 225.72

名称と別名

4-Benzoylpiperidine hydrochloride25519-80-6DTXSID70369131RefChem:518437DTXCID30320167681-765-3phenyl(piperidin-4-yl)methanone hydrochloride4-Benzoylpiperidine HCLMFCD00066982phenyl(4-piperidyl)methanone hydrochloridephenyl(piperidin-4-yl)methanone;hydrochlorideMethanone, phenyl-4-piperidinyl-, hydrochloride

名称をさらに表示

4-ベンゾイルピペリジン塩酸塩4‐ベンゾイルピペリジン塩酸塩フェニル(ピペリジン-4-イル)メタノン塩酸塩TIMTEC-BB SBB0033194-BENZOYL PIPERIDINE HCLPHENYL(4-PIPERIDINYL)METHANONEphenyl(4-piperidyl)methanoneHClPhenyl(4-piperidinyl)Methanone HClphenyl(4-piperidin-1-iumyl)methanoneUmeclidinium bromide Impurity-14 HCL4-Benzoylpiperidine hydrochloride,98%Phenyl 4-Piperidyl Ketone Hydrochloride

AB02723phenyl (4-piperidyl)methanone hydrochloridephenyl(4-piperidinyl)methanone hydrochlorideEN300-30359F0001-0857phenyl 4-piperidyl ketone, chloridePhenyl-piperidin-4-yl-methanone hydrochloride4-benzoyl piperidine hydrochloride

データベース識別子

CAS: 25519-80-6
PubChem CID: 2724437
DTXSID: DTXSID70369131
EC Number: 681-765-3

物性

構造計算による物性

極性表面積: 29.1 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: 2
重原子数: 15
形式電荷: 0
複雑度: 190

物理化学的性質

融点: 95 · 95-97°C
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Methnol (Slightly), Water (Slightly)
外見: crystalline powder
色: Off-white
安定性: -20 ℃の冷凍庫で保存 · -20℃の冷凍庫で保存
InChI: InChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H
InChIKey: NXYKIFZJQXOUJS-UHFFFAOYSA-N
SMILES: C(C1CCNCC1)(C1C=CC=CC=1)=O.Cl

化学的性質

化学的特性white to almost white powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.