4-ピペリドン
4-Piperidone
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
41661-47-6- 標準SMILES
O=C1CCNCC1- InChIKey
VRJHQPZVIGNGMX-UHFFFAOYSA-N- 分子式
- C5H9NO
- 平均分子量
- 99.13 g/mol
- 単同位体質量
- 99.06841391
名称と識別子
- 優先名称
- 4-Piperidone
- IUPAC
- piperidin-4-one
- 現地名
- 4-ピペリドン
- 英語名
- 4-Piperidinone
- 分子式
- C5H9NO
- 分子量
- 99.13
名称と別名
4-Piperidone4-Piperidinone15WP1EA7UHEINECS 255-481-1UNII-15WP1EA7UH.GAMMA.-PIPERIDINONEDTXSID50194488GAMMA-PIPERIDINONERefChem:100408DTXCID60116979255-481-14-piperidone (piperidin-4-one), its acetals, its amides, its carbamates, its salts, and salts of its acetals, its amides, and its carbamates, and any combination thereof, whenever the existence of such is possible.
名称をさらに表示
γ-ピペリドンピペリジン-4-オン4-ピペリドン4-ピペリジノン4-piperidinLUBE-013γ-Piperidone1-yl)acetyl)-4-Piperidinonγ-Piperidinone
VRJHQPZVIGNGMX-UHFFFAOYSA-Npiperidin-4-one41661-47-64-oxopiperidine4piperidone4-oxo-piperidinepiperid-4-one4-Piperidone, AldrichCPR
データベース識別子
- CAS
41661-47-6- PubChem CID
- 33721
- DTXSID
DTXSID50194488- UNII
- 15WP1EA7UH
- EC Number
- 255-481-1
- Nikkaji
- J16.026A
物性
構造計算による物性補完中
- XLogP
- -0.7
- 極性表面積
- 29.1 Ų
- 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
- 0
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 72
物理化学的性質
- 沸点
- 175.1 · 175.1±15.0 °C(Predicted)
- 比重(密度)
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.95 · 8.95±0.20(Predicted)
- 外見
- solid
- 色
- yellow
- CAS データベース
- 41661 · 41661-47-6(CAS DataBase Reference)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
法規制情報
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
安全データ
- ridadr
- 1993
- hs_code
- 2914390090
- risk_code
- 11-20/21/22
- safety_code
- 16-26-36/37/39
化学と産業
用途と製造
DEA Listed Chemicals
4-piperidone (piperidin-4-one), its acetals, its amides, its carbamates, its salts, and salts of its acetals, its amides, and its carbamates, and any combination thereof, whenever the existence of such is possible.
A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
応用分野
説明4-Piperidinone is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs.Piperidones are a class of chemical compounds sharing the piperidone skeleton. A classic named reaction for the synthesis of piperidones is the Petrenko-Kritschenko piperidone synthesis which involves combining an alkyl-1,3-acetonedicarboxylate with benzaldehyde and an amine. This multicomponent reaction is related to the Hantzsch pyridine synthesis.
使用4-Piperidone monohydrate hydrochloride was used in the generation of compound libraries based on sub-reactions of an Ugi multicomponent reaction (MCR).
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