1-トリチルピペリジン-4-オン

1-Tritylpiperidin-4-one

HCID 2748414

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 112257-60-0
標準SMILES: O=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIKey: TTWLMWSWSQUXDB-UHFFFAOYSA-N
分子式: C24H23NO
平均分子量: 341.4 g/mol
単同位体質量: 341.17796436

名称と識別子

優先名称: 1-Tritylpiperidin-4-one
IUPAC: 1-tritylpiperidin-4-one
現地名: 1-トリチルピペリジン-4-オン
英語名: 1-TriphenylMethylpiperidin-4-one
分子式: C24H23NO
分子量: 341.45

名称と別名

1-tritylpiperidin-4-one112257-60-0DTXSID10372725RefChem:235542DTXCID103237571-Triphenylmethyl-4-piperidone1-TriphenylMethylpiperidin-4-one1-(triphenylmethyl)piperidin-4-oneMFCD011088491-TRITYL-4-PIPERIDINONE4-Piperidinone, 1-(triphenylmethyl)-1-(Triphenylmethyl)-4-piperidinone; 1-(Triphenylmethyl)piperidin-4-one; 1-Triphenylmethyl-4-piperidone

名称をさらに表示

1-トリチルピペリジン-4-オン

N-trityl-4-piperidoneSCHEMBL3744280TTWLMWSWSQUXDB-UHFFFAOYSA-N1-(Triphenylmethyl)-4-piperidinoneAKOS004903895AS-40324SY124047DB-201950

データベース識別子

CAS: 112257-60-0
PubChem CID: 2748414
DTXSID: DTXSID10372725
EC Number: 808-473-2

物性

構造計算による物性

XLogP: 4.4
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 26
形式電荷: 0
複雑度: 399

物理化学的性質

融点: 200 °C · >200 °C
沸点: 470.5 · 470.5±40.0 °C(Predicted)
比重(密度): 1.14 · 1.140±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
溶解性: soluble in Dichloromethane, Ethyl Acetate, Methanol
外見: Solid
酸解離定数(Pka): 5.17 · 5.17±0.20(Predicted)
色: Light Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.